Geometry & MOs

Info

ID:	120713
PubChem CID:	50741659
Reduced:	N2O3C28H28 (1)
Stoich.:	A2B3C28D28 (1)
Weight, g/mol:	341.00514
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	2.99
IP(EA), eV:	-8.92(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[N-(2-bromophenyl)-C-methylcarbonimidoyl]chromen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(CC(=O)C2=C(N(C3=CC=CC=C3C2=O)C)O)NCC4=CC=CC=C4

DOS

IR

Vibrations