Geometry & MOs

Info

ID:	416698
PubChem CID:	135090127
Reduced:	O2N3C12H17 (2)
Stoich.:	A2B3C12D17 (2)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-141.99
Dipole, Da:	5.26
IP(EA), eV:	-8.9(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C2=NN(C3=CC=CC=C32)C)C(C)C

DOS

IR

Vibrations