Geometry & MOs

Info

ID:	290275
PubChem CID:	104426383
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	297.18009
ΔH_f, kcal/mol:	-83.77
Dipole, Da:	5.53
IP(EA), eV:	-8.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-ethyl-5-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CCN1C=CN=C(C1=O)NCCC(=O)NCC(C)C

DOS

IR

Vibrations