Geometry & MOs

Info

ID:	182493
PubChem CID:	76894255
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	338.09938
ΔH_f, kcal/mol:	-49.72
Dipole, Da:	1.71
IP(EA), eV:	-8.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN(C2CC2)C(=O)C(CCSC)N

DOS

IR

Vibrations