Geometry & MOs

Info

ID:	343510
PubChem CID:	127266683
Reduced:	O2F3N6C12H13 (1)
Stoich.:	A2B3C6D12E13 (1)
Weight, g/mol:	276.133474
ΔH_f, kcal/mol:	-123.16
Dipole, Da:	12.09
IP(EA), eV:	-9.52(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(=C1)NCC(=O)N3CCCO3)C(F)(F)F

DOS

IR

Vibrations