Geometry & MOs

Info

ID:	289682
PubChem CID:	104366773
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	255.9306
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	4.72
IP(EA), eV:	-8.39(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromopyrazol-1-yl)thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CN(C)CC1CC(CN1C2=CSC(=C2)C=O)O

DOS

IR

Vibrations