Geometry & MOs

Info

ID:	76239
PubChem CID:	48424650
Reduced:	ClNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-107.19
Dipole, Da:	3.77
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCOC2=C1C=CC=C2Cl)OCC3CC3

DOS

IR

Vibrations