Geometry & MOs

Info

ID:	426491
PubChem CID:	135144431
Reduced:	N2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	322.215747
ΔH_f, kcal/mol:	84.04
Dipole, Da:	6.49
IP(EA), eV:	-8.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-amino-1-(dimethylamino)propyl]-2-[(4-methylanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC(=C(C=C2)C#N)CNC3=CC=CC=C3

DOS

IR

Vibrations