Geometry & MOs

Info

ID:	187600
PubChem CID:	77595688
Reduced:	PF2N5O7C22H24 (1)
Stoich.:	AB2C5D7E22F24 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	-373.33
Dipole, Da:	6.37
IP(EA), eV:	-9.34(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,4a,12a-tetrahydro-1H-pyrido[3,2-c][1]benzazocin-2-one

Drug info:

PubChemData

Smile

CC1(C=C(OP(=O)(O1)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)(C)O)O)C5=CC(=CC(=C5)F)F)C

DOS

IR

Vibrations