Geometry & MOs

Info

ID:	437046
PubChem CID:	135214151
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	184.157563
ΔH_f, kcal/mol:	-15.51
Dipole, Da:	3.84
IP(EA), eV:	-8.98(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol

Drug info:

PubChemData

Smile

CCC(CC1=CSC=C1)NC(=O)NC[C@@H]2CC3=CC=CC=C3CN2

DOS

IR

Vibrations