Geometry & MOs

Info

ID:	368981
PubChem CID:	127331085
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	347.187878
ΔH_f, kcal/mol:	-142.62
Dipole, Da:	4.81
IP(EA), eV:	-8.93(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycycloheptyl)methyl]-3-(1-methylsulfonylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1CN(CCO1)CC2=CC=CC(=C2)CNC(=O)NCC3(CCCCCC3)O

DOS

IR

Vibrations