Geometry & MOs

Info

ID:	186680
PubChem CID:	77466388
Reduced:	NO3C29H41 (1)
Stoich.:	AB3C29D41 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-149.05
Dipole, Da:	1.46
IP(EA), eV:	-8.14(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-methyl-3-(8-methylidene-4-oxophthalazin-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CC2=CC3=C(C=C2)C=C(C=C3)OC4CC(CCC4C(C)C)C

DOS

IR

Vibrations