Geometry & MOs

Info

ID:	322222
PubChem CID:	126669246
Reduced:	ClN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	369.197176
ΔH_f, kcal/mol:	-41.65
Dipole, Da:	5.81
IP(EA), eV:	-9.17(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzodiazepine

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)OCC(CC2=CC=C(C=C2)Cl)NC=O

DOS

IR

Vibrations