Geometry & MOs

Info

ID:	303195
PubChem CID:	124489340
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	332.01941
ΔH_f, kcal/mol:	-76.69
Dipole, Da:	6.36
IP(EA), eV:	-9.18(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CC[C@H](C2)CNC)F

DOS

IR

Vibrations