Geometry & MOs

Info

ID:	187507
PubChem CID:	77581838
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	308.17763
ΔH_f, kcal/mol:	-57.6
Dipole, Da:	10.19
IP(EA), eV:	-8.88(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylidene-5-hydroxy-4-methyl-4a-prop-2-enyl-5,6,7,8-tetrahydro-4H-naphthalen-2-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)CN2CCC(C2)NC3=NC=C(N=C3)C=CC(=O)O

DOS

IR

Vibrations