Geometry & MOs

Info

ID:	130520
PubChem CID:	51091038
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-78.12
Dipole, Da:	2.8
IP(EA), eV:	-8.12(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)CCC(=O)NC3CCCC3

DOS

IR

Vibrations