Geometry & MOs

Info

ID:	223545
PubChem CID:	85335213
Reduced:	O3N6C22H24 (1)
Stoich.:	A3B6C22D24 (1)
Weight, g/mol:	422.268176
ΔH_f, kcal/mol:	26.48
Dipole, Da:	2.09
IP(EA), eV:	-8.28(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-5-(2-methylprop-2-enylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-4aH-phthalazin-1-yl)phenyl]pentanamide

Drug info:

PubChemData

Smile

CCC1=NC(=NCC2=CC(=C(C=C2)OC)OC)N=C3C1=NC(=O)C4=C(N=C(N43)CC)C

DOS

IR

Vibrations