Geometry & MOs

Info

ID:	152353
PubChem CID:	56311268
Reduced:	O4N6C25H36 (1)
Stoich.:	A4B6C25D36 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-167.68
Dipole, Da:	8.52
IP(EA), eV:	-8.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C)N

DOS

IR

Vibrations