Geometry & MOs

Info

ID:	64823
PubChem CID:	29204048
Reduced:	N2O5C22H34 (1)
Stoich.:	A2B5C22D34 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-215.14
Dipole, Da:	3.45
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(5-nitro-2-pyrrolidin-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)[C@H](C(C)C)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C

DOS

IR

Vibrations