Geometry & MOs

Info

ID:	193130
PubChem CID:	78348807
Reduced:	SN3O5C25H27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-79.05
Dipole, Da:	6.99
IP(EA), eV:	-8.61(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-6-propyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCOC2=C(C=C(C=C2)[N+](=O)[O-])C3NC4C(C5=C(S4)CCCC5)C(=O)N3

DOS

IR

Vibrations