Geometry & MOs

Info

ID:	322023
PubChem CID:	126668308
Reduced:	NO3C28H31 (1)
Stoich.:	AB3C28D31 (1)
Weight, g/mol:	457.188923
ΔH_f, kcal/mol:	-21.98
Dipole, Da:	2.12
IP(EA), eV:	-8.53(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC1=C(C(=C(C=C1)OC)OCC2=CC=CC=C2)CC(C=O)C3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations