Geometry & MOs

Info

ID:	227602
PubChem CID:	87562071
Reduced:	N2O7C18H22 (1)
Stoich.:	A2B7C18D22 (1)
Weight, g/mol:	211.074562
ΔH_f, kcal/mol:	-149.7
Dipole, Da:	3.11
IP(EA), eV:	-8.89(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-pyrrol-2-ylidene-1,2-dihydroindazole-6-carbaldehyde

Drug info:

PubChemData

Smile

CCC(=NO)C1=CC=CO1.CCOC(=O)C(=O)C(C)C(=NO)C1=CC=CO1

DOS

IR

Vibrations