Geometry & MOs

Info

ID:	369037
PubChem CID:	127331156
Reduced:	O3N6C14H20 (1)
Stoich.:	A3B6C14D20 (1)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	-86.4
Dipole, Da:	4.91
IP(EA), eV:	-8.77(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylmethyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)N3CCC(=O)NCC3

DOS

IR

Vibrations