Geometry & MOs

Info

ID:	248180
PubChem CID:	103079482
Reduced:	SN3O4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	185.091275
ΔH_f, kcal/mol:	-29.63
Dipole, Da:	5.65
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-methyl-4-nitropyrazol-3-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC2=NN(C=C2[N+](=O)[O-])C)C(=O)O

DOS

IR

Vibrations