Geometry & MOs

Info

ID:	303162
PubChem CID:	124489294
Reduced:	BrON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	4.84
IP(EA), eV:	-9.31(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S)-3-(methylaminomethyl)pyrrolidine-1-carbonyl]benzonitrile

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)C(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations