Geometry & MOs

Info

ID:	335402
PubChem CID:	127254264
Reduced:	N2O4C27H36 (1)
Stoich.:	A2B4C27D36 (1)
Weight, g/mol:	551.267173
ΔH_f, kcal/mol:	-159.02
Dipole, Da:	2.92
IP(EA), eV:	-8.35(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(1R)-4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethoxy]-3-benzyl-4,7-dimethylchromen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)CN2CCC3(CCCCC3[C@@H]2C4=CC(=C(C=C4)OC)OC)O)C

DOS

IR

Vibrations