Geometry & MOs

Info

ID:	41698
PubChem CID:	8146845
Reduced:	OSN4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	400.166117
ΔH_f, kcal/mol:	57.82
Dipole, Da:	5.71
IP(EA), eV:	-8.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6-methoxynaphthalen-2-yl)methyl-methyl-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C

DOS

IR

Vibrations