Geometry & MOs

Info

ID:	344025
PubChem CID:	127267201
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	14.24
Dipole, Da:	4.29
IP(EA), eV:	-9.08(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-(3-methylpent-1-yn-3-yl)urea

Drug info:

PubChemData

Smile

CCC(C)(C#C)NC(=O)NC1=CC=CC(=N1)C

DOS

IR

Vibrations