Geometry & MOs

Info

ID:	63077
PubChem CID:	26744205
Reduced:	O2N3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-9.31
Dipole, Da:	4.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.831418
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-methylpiperidin-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](C[NH+]2CCCC3=CC=CC=C3)O

DOS

IR

Vibrations