Geometry & MOs

Info

ID:	372380
PubChem CID:	131296689
Reduced:	ON3H7C11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	203.105862
ΔH_f, kcal/mol:	67.72
Dipole, Da:	6.76
IP(EA), eV:	-9.48(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,4-dimethylpyrazol-3-yl)methyl]-1H-pyrrole-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC=CN2)C(=O)C#N

DOS

IR

Vibrations