Geometry & MOs

Info

ID:	335283
PubChem CID:	127254144
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	463.283492
ΔH_f, kcal/mol:	-129.6
Dipole, Da:	6.19
IP(EA), eV:	-8.76(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1R)-1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl]phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2CC(=O)N)O

DOS

IR

Vibrations