Geometry & MOs

Info

ID:	291937
PubChem CID:	113873744
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-68.43
Dipole, Da:	4.11
IP(EA), eV:	-8.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(6-methyl-1-benzofuran-2-yl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C(=O)C2CCOC3(C2)CCSC3

DOS

IR

Vibrations