Geometry & MOs

Info

ID:	364763
PubChem CID:	127316094
Reduced:	ON4C21H32 (1)
Stoich.:	AB4C21D32 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-53.34
Dipole, Da:	5.12
IP(EA), eV:	-8.95(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)C(=O)N4CCN(CC4)CC5=NC=CN5)C

DOS

IR

Vibrations