Geometry & MOs

Info

ID:	200965
PubChem CID:	79466930
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-43.17
Dipole, Da:	5.58
IP(EA), eV:	-9.29(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-bromo-4-methyl-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

CCC(CC)N(C)C(=O)C1=CC(=C(C=C1)C)Br

DOS

IR

Vibrations