Geometry & MOs

Info

ID:	58570
PubChem CID:	24702331
Reduced:	BrSN2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	91.11
Dipole, Da:	2.45
IP(EA), eV:	-9.48(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CSC(=N2)CC#N)Br

DOS

IR

Vibrations