Geometry & MOs

Info

ID:	181747
PubChem CID:	76787439
Reduced:	N2F3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	354.155512
ΔH_f, kcal/mol:	-145.2
Dipole, Da:	4.21
IP(EA), eV:	-9.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-[2-[3-(trifluoromethyl)phenyl]acetyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CCCC(C1=NC(=CC=C1)C(F)(F)F)N

DOS

IR

Vibrations