Geometry & MOs

Info

ID:	257381
PubChem CID:	103145648
Reduced:	N3O4H13C14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	188.106196
ΔH_f, kcal/mol:	-47.29
Dipole, Da:	6.53
IP(EA), eV:	-9.62(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-4-(1,2,4-triazol-4-yl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)C2=CC(=CN=C2)O

DOS

IR

Vibrations