Geometry & MOs

Info

ID:	74072
PubChem CID:	48421422
Reduced:	BrN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	-17.77
Dipole, Da:	5.2
IP(EA), eV:	-8.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(2,5-dimethylpyrrolidin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)NC2(CC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations