Geometry & MOs

Info

ID:	208244
PubChem CID:	80508284
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	282.159295
ΔH_f, kcal/mol:	92.13
Dipole, Da:	8.8
IP(EA), eV:	-8.96(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(benzotriazol-1-yl)-5,6-diethylpyridazin-4-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1CN)N2C=NC3=CC=CC=C32)CC

DOS

IR

Vibrations