Geometry & MOs

Info

ID:	73982
PubChem CID:	48421308
Reduced:	ClFO2N4C21H22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	335.170588
ΔH_f, kcal/mol:	-62.07
Dipole, Da:	9.14
IP(EA), eV:	-8.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)N(CCCN2C=CN=C2)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations