Geometry & MOs

Info

ID:	16708
PubChem CID:	475607
Reduced:	ClON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	306.149891
ΔH_f, kcal/mol:	-38.52
Dipole, Da:	2.55
IP(EA), eV:	-9.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-(3-ethylpent-2-enyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CCC(=CCN1CC2=C(C=CC=C2Cl)NC(=O)C1C)CC

DOS

IR

Vibrations