Geometry & MOs

Info

ID:	439193
PubChem CID:	135228958
Reduced:	NC19H29 (1)
Stoich.:	AB19C29 (1)
Weight, g/mol:	394.262028
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	2.27
IP(EA), eV:	-9.14(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[(5aR)-4,5,5a,6-tetrahydroindeno[1,2-c]azepin-6-yl]-1-hydroxyethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC(CC(C1CCCCC1)N)C2=CC=CC=C2C(=C)C

DOS

IR

Vibrations