Geometry & MOs

Info

ID:	163749
PubChem CID:	74374101
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	608.237718
ΔH_f, kcal/mol:	10.39
Dipole, Da:	4.72
IP(EA), eV:	-9.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[[4-[(4-chlorophenyl)methyl]-1-oxophthalazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1C=CC(=C2)C=CC(=O)NO)CC3=CC=CC=C3

DOS

IR

Vibrations