Geometry & MOs

Info

ID:	350022
PubChem CID:	127276895
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	46.56
Dipole, Da:	5.98
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-2-oxoethyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)N4CCN(C5=CC=CC=C5C4)C

DOS

IR

Vibrations