Geometry & MOs

Info

ID:	356833
PubChem CID:	127292373
Reduced:	ON2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	-103.88
Dipole, Da:	7.78
IP(EA), eV:	-9.03(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(C1)CNC(=O)N2CCNC(=O)C2C

DOS

IR

Vibrations