Geometry & MOs

Info

ID:	142099
PubChem CID:	52979961
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	400.148359
ΔH_f, kcal/mol:	-56.56
Dipole, Da:	4.84
IP(EA), eV:	-8.6(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[amino(naphthalen-1-yl)methyl]sulfanyl-1-phenyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-1-ium-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)CNC3C(C(=O)C3=O)N4CCCCC4

DOS

IR

Vibrations