Geometry & MOs

Info

ID:	147171
PubChem CID:	53786824
Reduced:	N5O7C26H37 (1)
Stoich.:	A5B7C26D37 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-330.87
Dipole, Da:	6.73
IP(EA), eV:	-8.67(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexyl] propanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C

DOS

IR

Vibrations