Geometry & MOs

Info

ID:	445572
PubChem CID:	135268199
Reduced:	N4C5H14 (1)
Stoich.:	A4B5C14 (1)
Weight, g/mol:	408.206245
ΔH_f, kcal/mol:	13.64
Dipole, Da:	0.79
IP(EA), eV:	-8.38(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[4-(cyclohexa-2,4-dien-1-ylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)N(C)N=C(N)N

DOS

IR

Vibrations