Geometry & MOs

Info

ID:	302637
PubChem CID:	124385570
Reduced:	N2O7C22H24 (1)
Stoich.:	A2B7C22D24 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-271.76
Dipole, Da:	11.53
IP(EA), eV:	-9.6(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4aR,8aS)-4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)O)C

DOS

IR

Vibrations