Geometry & MOs

Info

ID:	1931
PubChem CID:	5377
Reduced:	NO2C26H29 (1)
Stoich.:	AB2C26D29 (1)
Weight, g/mol:	387.219829
ΔH_f, kcal/mol:	-14.25
Dipole, Da:	2.26
IP(EA), eV:	-8.51(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

Drug info:

PubChemData

Smile

CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC(=CC=C2)O)C3=CC=CC=C3

DOS

IR

Vibrations