Geometry & MOs

Info

ID:	343133
PubChem CID:	127266306
Reduced:	ClO3N5C15H16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	5.01
Dipole, Da:	10.65
IP(EA), eV:	-9.33(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylpyrimidin-4-yl)-3-[2-(3-methylpyridin-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)N(C)CCC2=NC=CN=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations