Geometry & MOs

Info

ID:	368994
PubChem CID:	127331098
Reduced:	SO2N3C20H33 (1)
Stoich.:	AB2C3D20E33 (1)
Weight, g/mol:	379.229348
ΔH_f, kcal/mol:	-103.78
Dipole, Da:	1.66
IP(EA), eV:	-8.9(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycycloheptyl)methyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)NCC2CCN(CC2)CC3=CC=CS3)O

DOS

IR

Vibrations