Geometry & MOs

Info

ID:	189884
PubChem CID:	77919878
Reduced:	S2O3N4C16H22 (1)
Stoich.:	A2B3C4D16E22 (1)
Weight, g/mol:	354.230728
ΔH_f, kcal/mol:	-69.6
Dipole, Da:	6.93
IP(EA), eV:	-9.21(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-methylnaphthalen-1-yl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

CCCN1CCN(C2C1CS(=O)(=O)C2)C(=O)C3=C(N=C4N3C=CS4)C

DOS

IR

Vibrations