Geometry & MOs

Info

ID:	128342
PubChem CID:	51040636
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	400.224974
ΔH_f, kcal/mol:	-55.54
Dipole, Da:	5.28
IP(EA), eV:	-8.2(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-pentylchromen-2-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(\C)/C=C/C1=CC=C(C=C1)N(C)C

DOS

IR

Vibrations