Geometry & MOs

Info

ID:	247467
PubChem CID:	103071611
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	6.66
Dipole, Da:	4.24
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(propylaminomethyl)prop-2-enyl]phthalazin-1-one

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)CN1C(=O)C2=CC=CC=C2C=N1

DOS

IR

Vibrations