Geometry & MOs

Info

ID:	447713
PubChem CID:	135284997
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	302.185509
ΔH_f, kcal/mol:	-16.22
Dipole, Da:	6.52
IP(EA), eV:	-8.73(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1-cyclohexylethyl)urea

Drug info:

PubChemData

Smile

CCOC1=C(C2=C(C=C1)C=C(C=C2)C34CC3CNC4)C=O

DOS

IR

Vibrations