Geometry & MOs

Info

ID:	40059
PubChem CID:	8143500
Reduced:	OSN5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	361.191603
ΔH_f, kcal/mol:	58.52
Dipole, Da:	2.61
IP(EA), eV:	-8.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-hydroxy-N-(2-methylphenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N4C2=NN(C4=S)CN5CCCC5

DOS

IR

Vibrations