Geometry & MOs

Info

ID:	168952
PubChem CID:	75045431
Reduced:	O3N7C22H31 (1)
Stoich.:	A3B7C22D31 (1)
Weight, g/mol:	485.269672
ΔH_f, kcal/mol:	-93.2
Dipole, Da:	6.62
IP(EA), eV:	-8.36(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-[3-hydroxy-2-[1-(3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl)ethyl]-5-methylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN1C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCCCCCO)C(=O)N

DOS

IR

Vibrations