Geometry & MOs

Info

ID:	426482
PubChem CID:	135144422
Reduced:	N5C25H33 (1)
Stoich.:	A5B25C33 (1)
Weight, g/mol:	433.284161
ΔH_f, kcal/mol:	69.64
Dipole, Da:	6.0
IP(EA), eV:	-8.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-(1-pyrrolidin-1-ylpropan-2-ylamino)benzonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2CCN(CC2)CC3=C(C=CC(=C3)N4CCN(CC4)C)C#N

DOS

IR

Vibrations