Geometry & MOs

Info

ID:	43078
PubChem CID:	10318352
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	392.198759
ΔH_f, kcal/mol:	42.8
Dipole, Da:	1.68
IP(EA), eV:	-8.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-(1-oxo-6-propan-2-yl-7-propan-2-yloxy-3,4-dihydronaphthalen-2-ylidene)methyl]benzoate

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=CC=C3)/C(=N/OCC)/C4CC4

DOS

IR

Vibrations