Geometry & MOs

Info

ID:

173375

PubChem CID:

75630510

Reduced:

FON6C29H29 (1)

Stoich.:

ABC6D29E29 (1)

Weight, g/mol:

580.227547

ΔHf, kcal/mol:

79.96

Dipole, Da:

10.84

IP(EA), eV:

 -8.67(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[2-(methoxymethyl)-2-methyl-3-oxo-6-[piperidin-3-yl(propan-2-yl)carbamoyl]-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=C(C=C2)C3C(C(=C4C=CC(=O)C=C4F)NC5C3C(NN5)C6=CC=CC=C6)C#N

DOS

IR

Vibrations