Geometry & MOs

Info

ID:	162168
PubChem CID:	57393821
Reduced:	ON6H14C16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	362.127994
ΔH_f, kcal/mol:	77.59
Dipole, Da:	3.83
IP(EA), eV:	-9.07(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethynylphenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC2=C3C=NC=CC3=C(N=C2C(=C1)C4=NC=NN4)NCCO

DOS

IR

Vibrations