Geometry & MOs

Info

ID:	145159
PubChem CID:	53472250
Reduced:	FNC13H14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	413.32938
ΔH_f, kcal/mol:	30.22
Dipole, Da:	1.69
IP(EA), eV:	-8.91(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,16R)-2,16-dimethyl-15-(6-methylheptan-2-yl)-10-azatetracyclo[9.7.0.02,7.012,16]octadec-6-ene-5,9-dione

Drug info:

PubChemData

Smile

CN(CC#C)C1CC2=CC=CC=C2C1[18F]

DOS

IR

Vibrations