Geometry & MOs

Info

ID:	138717
PubChem CID:	52415056
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	1.72
IP(EA), eV:	-8.23(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[(3-methylphenyl)methyl]urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCNC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

DOS

IR

Vibrations