Geometry & MOs

Info

ID:	207552
PubChem CID:	80413060
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-45.16
Dipole, Da:	4.79
IP(EA), eV:	-9.05(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-carbamothioyl-N-methylanilino)-N-cyclopropylpropanamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N(C)C1=CC=CC=C1CN

DOS

IR

Vibrations