Geometry & MOs

Info

ID:	330688
PubChem CID:	127248095
Reduced:	SN2O4C16H26 (1)
Stoich.:	AB2C4D16E26 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-157.15
Dipole, Da:	2.61
IP(EA), eV:	-8.41(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(C1)(CN(C)CC2=CC=C(C=C2)OC)O

DOS

IR

Vibrations