Geometry & MOs

Info

ID:	22303
PubChem CID:	596565
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-5.32
Dipole, Da:	1.62
IP(EA), eV:	-7.81(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methyl]-2,3-dimethyl-1,4,5,6,7,8-hexahydrophthalazine

Drug info:

PubChemData

Smile

CN1CC2=C(CCCC2)C(N1C)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations