Geometry & MOs

Info

ID:	345533
PubChem CID:	127269833
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-86.11
Dipole, Da:	4.53
IP(EA), eV:	-9.09(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-3-methylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NC2CCC(CC2)C3=CC=CC=C3

DOS

IR

Vibrations