Geometry & MOs

Info

ID:	63088
PubChem CID:	26744221
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-31.15
Dipole, Da:	1.97
IP(EA), eV:	-9.08(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)[C@@H]2C[C@H](CN2CC3=CC4=CC=CC=C4O3)O

DOS

IR

Vibrations