Geometry & MOs

Info

ID:	272513
PubChem CID:	103744221
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	270.032668
ΔH_f, kcal/mol:	-101.69
Dipole, Da:	2.71
IP(EA), eV:	-8.74(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichlorophenyl)-3-(2-methylbut-3-yn-2-yl)urea

Drug info:

PubChemData

Smile

CC(C)(C)NCC1(CCCOC1)CC2=CC=C(C=C2)O

DOS

IR

Vibrations