Geometry & MOs

Info

ID:	30416
PubChem CID:	841300
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	287.101839
ΔH_f, kcal/mol:	-47.14
Dipole, Da:	5.71
IP(EA), eV:	-8.31(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzylideneamino)-2,5-dimethyl-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations