Geometry & MOs

Info

ID:	352040
PubChem CID:	127283108
Reduced:	OSN3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	351.198048
ΔH_f, kcal/mol:	-67.16
Dipole, Da:	2.25
IP(EA), eV:	-8.76(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycyclohexyl)methyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NC2CCN(CC2)C

DOS

IR

Vibrations