Geometry & MOs

Info

ID:	74214
PubChem CID:	48421593
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	351.180758
ΔH_f, kcal/mol:	32.26
Dipole, Da:	5.09
IP(EA), eV:	-8.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(diethylamino)pyridin-3-yl]-3-(2-pyrazol-1-ylpyridin-3-yl)urea

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC(=O)NC2=CC=CC3=C2C=CN=C3

DOS

IR

Vibrations