Geometry & MOs

Info

ID:	195256
PubChem CID:	78666074
Reduced:	ON4C24H32 (1)
Stoich.:	AB4C24D32 (1)
Weight, g/mol:	384.132136
ΔH_f, kcal/mol:	0.78
Dipole, Da:	1.84
IP(EA), eV:	-8.92(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3CCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations