Geometry & MOs

Info

ID:	66019
PubChem CID:	46488141
Reduced:	SN4O6C15H16 (1)
Stoich.:	AB4C6D15E16 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-120.63
Dipole, Da:	4.52
IP(EA), eV:	-9.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-5-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)S(=O)(=O)C2=CN=CC=C2

DOS

IR

Vibrations