Geometry & MOs

Info

ID:	356849
PubChem CID:	127292441
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	356.213616
ΔH_f, kcal/mol:	-154.72
Dipole, Da:	2.22
IP(EA), eV:	-8.87(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations