Geometry & MOs

Info

ID:	285802
PubChem CID:	104133770
Reduced:	ClN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	246.176585
ΔH_f, kcal/mol:	-91.66
Dipole, Da:	5.73
IP(EA), eV:	-9.77(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-(4-propan-2-yloxybutyl)thiourea

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)NC(C)C2CCCO2)Cl

DOS

IR

Vibrations