Geometry & MOs

Info

ID:	307745
PubChem CID:	125308765
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-45.32
Dipole, Da:	4.54
IP(EA), eV:	-8.97(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-(2-phenylacetyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OCCCN1CC(=O)N2[C@@H](C1=O)CC3=C4C=CC=CC4=N[C@H]3[C@H]2C5=CC=CC=C5

DOS

IR

Vibrations