Geometry & MOs

Info

ID:	251858
PubChem CID:	103107427
Reduced:	BrOSN2C12H19 (1)
Stoich.:	ABCD2E12F19 (1)
Weight, g/mol:	290.235814
ΔH_f, kcal/mol:	-32.29
Dipole, Da:	4.87
IP(EA), eV:	-8.93(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(C)C1=C(C=CS1)Br

DOS

IR

Vibrations