Geometry & MOs

Info

ID:	165237
PubChem CID:	74519790
Reduced:	N2O2H22C23 (1)
Stoich.:	A2B2C22D23 (1)
Weight, g/mol:	329.98916
ΔH_f, kcal/mol:	6.04
Dipole, Da:	5.11
IP(EA), eV:	-8.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromo-4-hydroxyphenyl)methylidene]chromen-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=C3COC4=CC=CC=C4C3=O)C

DOS

IR

Vibrations