Geometry & MOs

Info

ID:	282875
PubChem CID:	103943092
Reduced:	N5C11H11 (1)
Stoich.:	A5B11C11 (1)
Weight, g/mol:	237.097423
ΔH_f, kcal/mol:	98.03
Dipole, Da:	2.67
IP(EA), eV:	-9.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]imidazol-4-amine

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations