Geometry & MOs

Info

ID:	187581
PubChem CID:	77594029
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-106.9
Dipole, Da:	4.96
IP(EA), eV:	-9.9(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylamino)phenyl]-3-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-phthalazin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1CC2CC(C1)C2.CN1C(=O)CC(=O)NC1=O

DOS

IR

Vibrations