Geometry & MOs

Info

ID:	368269
PubChem CID:	127327843
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	5.34
Dipole, Da:	6.09
IP(EA), eV:	-8.7(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methylcarbamoyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCC3CCCCN3CC4=CC=CC=C4

DOS

IR

Vibrations