Geometry & MOs

Info

ID:	437047
PubChem CID:	135214153
Reduced:	ON2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-48.7
Dipole, Da:	3.22
IP(EA), eV:	-8.66(1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(dimethylamino)-3-[4-hydroxy-5-(hydroxymethyl)cyclohexa-1,3-dien-1-yl]propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea

Drug info:

PubChemData

Smile

CN[C@@H](CC1CCC(=CC1)O)CN

DOS

IR

Vibrations