Geometry & MOs

Info

ID:	343178
PubChem CID:	127266351
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	0.87
IP(EA), eV:	-8.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(1-methylpyrazol-4-yl)-3-(6-methylpyridin-2-yl)urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)N(C)C3=CN(N=C3)C

DOS

IR

Vibrations