Geometry & MOs

Info

ID:	248275
PubChem CID:	103080168
Reduced:	O4N5C12H21 (1)
Stoich.:	A4B5C12D21 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	-88.02
Dipole, Da:	4.23
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(3-methylcyclopentyl)-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations