Geometry & MOs

Info

ID:	394776
PubChem CID:	135023766
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	370.178024
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	3.24
IP(EA), eV:	-8.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R,6S)-2-[(4-methoxyphenyl)methoxy]-6-phenylmethoxyhept-4-enoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3CCC2C(C3)NC(=O)C4=CC=CC=N4

DOS

IR

Vibrations