Geometry & MOs

Info

ID:	182484
PubChem CID:	76893540
Reduced:	OSN2C12H24 (1)
Stoich.:	ABC2D12E24 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-74.3
Dipole, Da:	1.66
IP(EA), eV:	-8.76(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-ethyl-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C(=O)C(CCSC)N

DOS

IR

Vibrations