Geometry & MOs

Info

ID:	161034
PubChem CID:	57390578
Reduced:	NO6C31H31 (1)
Stoich.:	AB6C31D31 (1)
Weight, g/mol:	469.188923
ΔH_f, kcal/mol:	-172.51
Dipole, Da:	4.12
IP(EA), eV:	-8.23(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-[7-[(4-hydroxyphenyl)methyl]-8-methyl-2-oxochromen-3-yl]-3-(3-methylbut-2-enyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C(=C2)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)CC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations