Geometry & MOs

Info

ID:	70948
PubChem CID:	48414084
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-57.8
Dipole, Da:	5.23
IP(EA), eV:	-8.85(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCCCC(=O)NCC2=C(NN=C2)C)Cl

DOS

IR

Vibrations