Geometry & MOs

Info

ID:	322018
PubChem CID:	126668288
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	487.235873
ΔH_f, kcal/mol:	-140.46
Dipole, Da:	2.04
IP(EA), eV:	-8.72(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butoxy-2-(2,2-diphenylpropanoyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)CC(O)O

DOS

IR

Vibrations