Geometry & MOs

Info

ID:	71042
PubChem CID:	48414212
Reduced:	ON6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	380.080681
ΔH_f, kcal/mol:	56.23
Dipole, Da:	4.21
IP(EA), eV:	-9.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichlorobenzoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=CC=N2)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations