Geometry & MOs

Info

ID:	368986
PubChem CID:	127331090
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	283.225977
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	3.43
IP(EA), eV:	-8.53(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycycloheptyl)methyl]-3-[(1-methylpyrrolidin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCOC(C1)CNC(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations