Geometry & MOs

Info

ID:	189733
PubChem CID:	77897497
Reduced:	SO3N5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	375.288577
ΔH_f, kcal/mol:	-9.8
Dipole, Da:	4.05
IP(EA), eV:	-9.29(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2-methoxyethyl(methyl)amino]methyl]-1-[1-(4-methylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2C=NC(=NC2=O)C3=CC=CS3)C(=O)C4=CC=CN4

DOS

IR

Vibrations