Geometry & MOs

Info

ID:	335257
PubChem CID:	127254118
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	436.272593
ΔH_f, kcal/mol:	-126.33
Dipole, Da:	4.93
IP(EA), eV:	-8.62(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2(CCN([C@H](C2C1)C3=CC4=C(C=C3)OCO4)CC(=O)NCC5=CC=CC=C5)O

DOS

IR

Vibrations