Geometry & MOs

Info

ID:	344033
PubChem CID:	127267209
Reduced:	FO3N4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	338.04907
ΔH_f, kcal/mol:	-111.43
Dipole, Da:	1.38
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-1-methylpyrazol-3-yl)-3-[2-(pyridin-2-ylamino)ethyl]urea

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=C1NC(=O)N2CCC3=C2C=CC(=C3)F)C

DOS

IR

Vibrations