Geometry & MOs

Info

ID:	159381
PubChem CID:	57269768
Reduced:	N3O5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	336.139326
ΔH_f, kcal/mol:	-152.5
Dipole, Da:	4.39
IP(EA), eV:	-9.17(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)C[C@]1(CCN(C1=O)CCC2=CC=CC=C2)C(CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)NO

DOS

IR

Vibrations