Geometry & MOs

Info

ID:	209601
PubChem CID:	80693481
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-47.65
Dipole, Da:	2.0
IP(EA), eV:	-8.74(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1(CCC(C1)(CC2=CC(=C(C=C2)OC)Br)N)C

DOS

IR

Vibrations