Geometry & MOs

Info

ID:	187517
PubChem CID:	77583558
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	587.243851
ΔH_f, kcal/mol:	-133.26
Dipole, Da:	7.64
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(cyclopropylmethyl)-9-phenylmethoxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]oxymethyl]benzoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(C2(CCCN2C)C)O)NC(=O)O

DOS

IR

Vibrations