Geometry & MOs

Info

ID:	277197
PubChem CID:	103827262
Reduced:	BrClNO2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	2.65
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)O)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations