Geometry & MOs

Info

ID:	197826
PubChem CID:	79004662
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	214.168128
ΔH_f, kcal/mol:	-135.57
Dipole, Da:	4.22
IP(EA), eV:	-9.66(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1(CCC(CC1)(C)C)O)N

DOS

IR

Vibrations