Geometry & MOs

Info

ID:	70611
PubChem CID:	48413592
Reduced:	ClO2N3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	327.161663
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	8.56
IP(EA), eV:	-8.89(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-5-methyl-4-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1CC(=O)N(C1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations