Geometry & MOs

Info

ID:	397403
PubChem CID:	135030170
Reduced:	ON2C35H42 (1)
Stoich.:	AB2C35D42 (1)
Weight, g/mol:	292.077869
ΔH_f, kcal/mol:	16.03
Dipole, Da:	5.87
IP(EA), eV:	-8.6(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(aminomethyl)-4-methoxyphenyl]-3-fluorobenzonitrile;hydrochloride

Drug info:

PubChemData

Smile

CCC(CCC(CCC(C)C1=CC=C(C=C1)O)C2=CC=C(C=C2)CN(C)C3=CC=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations