Geometry & MOs

Info

ID:	344085
PubChem CID:	127267261
Reduced:	O4N6C13H16 (1)
Stoich.:	A4B6C13D16 (1)
Weight, g/mol:	276.133474
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	5.61
IP(EA), eV:	-9.66(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylpyridin-2-yl)-3-[3-(5-oxo-1H-1,2,4-triazol-4-yl)propyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NCCCN2C=NNC2=O

DOS

IR

Vibrations