Geometry & MOs

Info

ID:	50955
PubChem CID:	12013555
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-67.58
Dipole, Da:	3.18
IP(EA), eV:	-9.03(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-(1,8-naphthyridin-2-yl)urea

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=NC2=C(C=C1)C=CC(=N2)NC(=O)CCCC

DOS

IR

Vibrations