Geometry & MOs

Info

ID:	189477
PubChem CID:	77863489
Reduced:	OF2N10C22H26 (1)
Stoich.:	AB2C10D22E26 (1)
Weight, g/mol:	351.147058
ΔH_f, kcal/mol:	3.76
Dipole, Da:	3.97
IP(EA), eV:	-9.26(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-acetyl-3-hydroxy-9-methyl-6-phenyl-4H-azonin-8-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=N1)F)NC2=NC(=NC(=N2)NC3CC(NN3)C4=CC=C(C=C4)F)N5CCOCC5

DOS

IR

Vibrations