Geometry & MOs

Info

ID:	165983
PubChem CID:	74621492
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	393.254203
ΔH_f, kcal/mol:	-76.83
Dipole, Da:	7.32
IP(EA), eV:	-8.9(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-butyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CCC2CCN(CC2)C(=O)C3=NC(=O)C4C=CC=CC4=N3)OC

DOS

IR

Vibrations