Geometry & MOs

Info

ID:	197404
PubChem CID:	78962995
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-17.95
Dipole, Da:	7.34
IP(EA), eV:	-8.35(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CCN(CC(C)(C)O)C1=CC=C(C=C1)C#N

DOS

IR

Vibrations