Geometry & MOs

Info

ID:	239997
PubChem CID:	93375531
Reduced:	N2O3C12H24 (1)
Stoich.:	A2B3C12D24 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-159.51
Dipole, Da:	4.03
IP(EA), eV:	-9.29(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-[(4-aminocyclohexanecarbonyl)-methylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC[C@@H](C)NCC(=O)N(C)C[C@@H](C)C(=O)OC

DOS

IR

Vibrations