Geometry & MOs

Info

ID:	448739
PubChem CID:	135293155
Reduced:	ON2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	282.122909
ΔH_f, kcal/mol:	-21.65
Dipole, Da:	1.96
IP(EA), eV:	-8.6(0.54)
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-benzylurea

Drug info:

PubChemData

Smile

C/C=C(\C=C/C(=C)CCN1CCC(CC1)NC)/OC

DOS

IR

Vibrations