Geometry & MOs

Info

ID:	426478
PubChem CID:	135144410
Reduced:	N5C26H35 (1)
Stoich.:	A5B26C35 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	64.5
Dipole, Da:	6.5
IP(EA), eV:	-8.28(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyanilino)methyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)CC3=C(C=CC(=C3)N(C)CN4CCCCC4)C#N

DOS

IR

Vibrations