Geometry & MOs

Info

ID:	336537
PubChem CID:	127255544
Reduced:	ClNO2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	285.205242
ΔH_f, kcal/mol:	-114.44
Dipole, Da:	6.5
IP(EA), eV:	-9.64(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S,4R)-2-amino-4-(dimethylcarbamoyl)cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CC(=O)O)N.Cl

DOS

IR

Vibrations