Geometry & MOs

Info

ID:	436677
PubChem CID:	135207453
Reduced:	BrN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	14.61
Dipole, Da:	4.65
IP(EA), eV:	-9.16(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methyl-4-phenylmethoxyphenyl)sulfonylpyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CC2=CN=CN2)C.Br

DOS

IR

Vibrations