Geometry & MOs

Info

ID:	336259
PubChem CID:	127255266
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-80.61
Dipole, Da:	5.73
IP(EA), eV:	-8.88(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-1-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCCC3=NC4=CC=CC=C4N3C)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations