Geometry & MOs

Info

ID:	437065
PubChem CID:	135214430
Reduced:	ON2C9H20 (1)
Stoich.:	AB2C9D20 (1)
Weight, g/mol:	368.224597
ΔH_f, kcal/mol:	-78.33
Dipole, Da:	3.67
IP(EA), eV:	-9.4(2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-(2,3-dihydrothiophen-4-yl)propan-2-yl]-3-[(2S)-2-(dimethylamino)-3-(2-hydroxy-1,2,3,4-tetrahydropyridin-5-yl)propyl]urea

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)C[C@@H](CN)N

DOS

IR

Vibrations