Geometry & MOs

Info

ID:	84376
PubChem CID:	49866092
Reduced:	BrSN2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	307.170292
ΔH_f, kcal/mol:	-1.5
Dipole, Da:	2.24
IP(EA), eV:	-9.19(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylphenyl)-[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CSC(=N)N.Br

DOS

IR

Vibrations