Geometry & MOs

Info

ID:	352041
PubChem CID:	127283109
Reduced:	SO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-95.01
Dipole, Da:	1.42
IP(EA), eV:	-8.92(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpyrrolidin-3-yl)-3-[(1-hydroxycyclohexyl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)NCC(C2=CC=CS2)N3CCCC3)O

DOS

IR

Vibrations