Geometry & MOs

Info

ID:	85570
PubChem CID:	49876996
Reduced:	ClNOSH21C23 (1)
Stoich.:	ABCDE21F23 (1)
Weight, g/mol:	206.131167
ΔH_f, kcal/mol:	26.37
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.199377
Charge, e:	-1

Chem-info

IUPAC name:

1-(tert-butylamino)-3,3-dimethylbutan-2-one;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=NC3=C2C4=C(S3)CCC4)C5=C(OC(=C5)C)C.[Cl-]

DOS

IR

Vibrations