Geometry & MOs

Info

ID:	69739
PubChem CID:	47205307
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	-18.46
Dipole, Da:	7.1
IP(EA), eV:	-9.27(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C(=O)NCC3=CC=NN3

DOS

IR

Vibrations