Geometry & MOs

Info

ID:	150322
PubChem CID:	53790010
Reduced:	N3O3C16H29 (1)
Stoich.:	A3B3C16D29 (1)
Weight, g/mol:	394.12559
ΔH_f, kcal/mol:	-181.24
Dipole, Da:	5.11
IP(EA), eV:	-9.46(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1R,2S)-3-methoxy-2-pyrrolidin-1-ylcyclohexyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CC

DOS

IR

Vibrations