Geometry & MOs

Info

ID:	168127
PubChem CID:	74926666
Reduced:	ON7C19H31 (1)
Stoich.:	AB7C19D31 (1)
Weight, g/mol:	560.14011
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	4.11
IP(EA), eV:	-8.55(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C(=N2)C)C3CC(=O)NC(N3)N4CCCC4

DOS

IR

Vibrations