Geometry & MOs

Info

ID:	77440
PubChem CID:	48431542
Reduced:	BrN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	354.080491
ΔH_f, kcal/mol:	-68.12
Dipole, Da:	3.48
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-chlorophenoxy)ethyl]-1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)urea

Drug info:

PubChemData

Smile

COCCN1CCC(CC1)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations