Geometry & MOs

Info

ID:	29158
PubChem CID:	832046
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-23.34
Dipole, Da:	4.31
IP(EA), eV:	-9.08(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(diethylamino)phenyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C=CC(=O)N2CCCC2

DOS

IR

Vibrations