Geometry & MOs

Info

ID:	248236
PubChem CID:	103079886
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	263.101839
ΔH_f, kcal/mol:	-40.55
Dipole, Da:	4.77
IP(EA), eV:	-9.02(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methoxypyridin-3-yl)methyl]-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CO)NC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations