Geometry & MOs

Info

ID:	426499
PubChem CID:	135144447
Reduced:	N5C28H39 (1)
Stoich.:	A5B28C39 (1)
Weight, g/mol:	375.242296
ΔH_f, kcal/mol:	47.16
Dipole, Da:	6.24
IP(EA), eV:	-8.77(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C2CCCC2)NCC3=C(C=CC(=N3)NCCN4CCCCC4)C#N

DOS

IR

Vibrations