Geometry & MOs

Info

ID:	346048
PubChem CID:	127270536
Reduced:	O2N4C21H38 (1)
Stoich.:	A2B4C21D38 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-139.13
Dipole, Da:	2.66
IP(EA), eV:	-8.69(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCCNC(=O)N2CCC(CC2)N3CCCCC3

DOS

IR

Vibrations