Geometry & MOs

Info

ID:	275774
PubChem CID:	103817609
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	318.053798
ΔH_f, kcal/mol:	-17.29
Dipole, Da:	2.95
IP(EA), eV:	-9.02(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorophenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)CNCC2=CC(=CC=C2)CO

DOS

IR

Vibrations