Geometry & MOs

Info

ID:	322283
PubChem CID:	126669590
Reduced:	NC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	7.64
Dipole, Da:	1.43
IP(EA), eV:	-8.75(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(1R,2S,8S)-2-hydroxy-4-(2-methoxyacetyl)-4-azatricyclo[4.3.1.03,8]decan-9-yl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC1CC(CC(=C1)C)CN(C)CC2=CC=CC=C2

DOS

IR

Vibrations