Geometry & MOs

Info

ID:	437064
PubChem CID:	135214429
Reduced:	SO2N3C20H35 (1)
Stoich.:	AB2C3D20E35 (1)
Weight, g/mol:	172.157563
ΔH_f, kcal/mol:	-112.14
Dipole, Da:	2.29
IP(EA), eV:	-8.75(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2,3-diaminopropyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1CC(CC(C1C[C@@H](CNC(=O)N[C@@H](C)CC2=CSC=C2)NC)C)O

DOS

IR

Vibrations