Geometry & MOs

Info

ID:	368864
PubChem CID:	127330834
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	14.17
Dipole, Da:	6.77
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations