Geometry & MOs

Info

ID:	344024
PubChem CID:	127267200
Reduced:	O4N5C15H25 (1)
Stoich.:	A4B5C15D25 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-154.34
Dipole, Da:	3.55
IP(EA), eV:	-9.39(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylpent-1-yn-3-yl)-3-(6-methylpyridin-2-yl)urea

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC)NCCCNC(=O)NC1=CC(=NC=N1)OC

DOS

IR

Vibrations