Geometry & MOs

Info

ID:	335394
PubChem CID:	127254256
Reduced:	N2O4C27H36 (1)
Stoich.:	A2B4C27D36 (1)
Weight, g/mol:	489.251523
ΔH_f, kcal/mol:	-165.87
Dipole, Da:	5.0
IP(EA), eV:	-8.5(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-[(1R)-4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-oxopropan-2-yl]oxy-3,4,8-trimethylchromen-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations