Geometry & MOs

Info

ID:	313657
PubChem CID:	126616813
Reduced:	N3O3C17H33 (1)
Stoich.:	A3B3C17D33 (1)
Weight, g/mol:	336.196841
ΔH_f, kcal/mol:	-193.33
Dipole, Da:	2.23
IP(EA), eV:	-9.56(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-N-[(2S)-2-amino-2-(2-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NCC(CO)NC(=O)C(C)N)C(C)C

DOS

IR

Vibrations