Geometry & MOs

Info

ID:	74066
PubChem CID:	48421415
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	388.04226
ΔH_f, kcal/mol:	-162.65
Dipole, Da:	3.44
IP(EA), eV:	-9.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-bromophenyl)cyclopropyl]urea

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)N(C)CC(COCC2=CC=CC=C2)O

DOS

IR

Vibrations