Geometry & MOs

Info

ID:	382894
PubChem CID:	134974324
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	520.224974
ΔH_f, kcal/mol:	-2.93
Dipole, Da:	4.98
IP(EA), eV:	-8.92(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-[4-[3-[(4-methoxyphenyl)-(4-prop-2-enoxyphenyl)methoxy]prop-1-ynyl]phenyl]methanol

Drug info:

PubChemData

Smile

CC(C)[C@@H]1[C@H](N([C@H](CC(=O)N1)C2=CC=CC=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations