Geometry & MOs

Info

ID:	426486
PubChem CID:	135144426
Reduced:	FN2C22H25 (1)
Stoich.:	AB2C22D25 (1)
Weight, g/mol:	342.161125
ΔH_f, kcal/mol:	7.56
Dipole, Da:	2.27
IP(EA), eV:	-8.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC1=C(C=CC(=C1)F)C#N)C2=CC=C(C=C2)C3CCCC3

DOS

IR

Vibrations