Geometry & MOs

Info

ID:	252502
PubChem CID:	103111819
Reduced:	N4O4H12C13 (1)
Stoich.:	A4B4C12D13 (1)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	43.99
Dipole, Da:	9.33
IP(EA), eV:	-9.32(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]-1,2,4-triazin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=C(N=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations