Geometry & MOs

Info

ID:	37877
PubChem CID:	8025281
Reduced:	BrN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	342.230728
ΔH_f, kcal/mol:	-55.85
Dipole, Da:	2.77
IP(EA), eV:	-9.31(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imino-3,3-dimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)NC2=CC=CC=C2N1C(=O)COC3=CC=CC=C3Br

DOS

IR

Vibrations