Geometry & MOs

Info

ID:	257395
PubChem CID:	103145799
Reduced:	ClO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	36.25
Dipole, Da:	3.31
IP(EA), eV:	-9.66(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethyl-4-nitrophenyl)-5-propan-2-yltriazol-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)N2C=CC(=N2)CCl

DOS

IR

Vibrations