Geometry & MOs

Info

ID:	317323
PubChem CID:	126635636
Reduced:	NC8H13 (1)
Stoich.:	AB8C13 (1)
Weight, g/mol:	422.162187
ΔH_f, kcal/mol:	31.32
Dipole, Da:	1.73
IP(EA), eV:	-9.1(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,Z,1E)-N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethylidene]but-2-enehydrazonoyl chloride

Drug info:

PubChemData

Smile

CC/C=C(/C)\C=C/N=C

DOS

IR

Vibrations