Geometry & MOs

Info

ID:	208243
PubChem CID:	80508283
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	0.36
Dipole, Da:	5.97
IP(EA), eV:	-8.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1CN)N(C)CCOCC2CC2)CC

DOS

IR

Vibrations