Geometry & MOs

Info

ID:	46537
PubChem CID:	10525073
Reduced:	NF3O4H14C21 (1)
Stoich.:	AB3C4D14E21 (1)
Weight, g/mol:	401.176412
ΔH_f, kcal/mol:	-201.63
Dipole, Da:	4.4
IP(EA), eV:	-9.16(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(7S)-1,2,10-trimethoxy-9-oxo-3-(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)C(F)(F)F)COC3=CC4=C(C=C3)OC(=C4)C=O

DOS

IR

Vibrations