Geometry & MOs

Info

ID:	156271
PubChem CID:	56369908
Reduced:	BrN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	450.96829
ΔH_f, kcal/mol:	-102.18
Dipole, Da:	3.04
IP(EA), eV:	-8.78(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2(CCOCC2)C3=C(C=CC(=C3)C)OC)Br

DOS

IR

Vibrations