Geometry & MOs

Info

ID:	67058
PubChem CID:	46505780
Reduced:	ON2H30C31 (1)
Stoich.:	AB2C30D31 (1)
Weight, g/mol:	350.188195
ΔH_f, kcal/mol:	58.79
Dipole, Da:	2.21
IP(EA), eV:	-7.9(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-6-methoxy-2-[(4-pentoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=O)/C(=C/C4=C(N(C(=C4)C)C5=CC=CC=C5)C)/CC3

DOS

IR

Vibrations