Geometry & MOs

Info

ID:	130706
PubChem CID:	51093628
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-104.45
Dipole, Da:	3.91
IP(EA), eV:	-8.68(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[(1-oxophthalazin-2-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=CC=CC=C2N=C1NC(=O)CCN3C(=O)CCC3=O

DOS

IR

Vibrations