Geometry & MOs

Info

ID:	442034
PubChem CID:	135248264
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	156.064726
ΔH_f, kcal/mol:	4.53
Dipole, Da:	1.96
IP(EA), eV:	-7.65(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethylamino)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CCCC=C1N(C2=CC=CC=C2)C3=CC=CC=C3OC

DOS

IR

Vibrations