Geometry & MOs

Info

ID:	120955
PubChem CID:	50751699
Reduced:	N3O3C28H29 (1)
Stoich.:	A3B3C28D29 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	5.09
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(CN2C3=CC=CC=C3N=C2C4CC(=O)N(C4)C5=CC=CC=C5)O)C

DOS

IR

Vibrations