Geometry & MOs

Info

ID:	177509
PubChem CID:	76195436
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	238.113984
ΔH_f, kcal/mol:	-73.38
Dipole, Da:	4.73
IP(EA), eV:	-9.15(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(heptan-3-ylideneamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=NNC(=O)COC1=CC(=C(C=C1)Cl)C)CC

DOS

IR

Vibrations