Geometry & MOs

Info

ID:	323212
PubChem CID:	126673677
Reduced:	PF3N5O6C26H27 (1)
Stoich.:	AB3C5D6E26F27 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-383.25
Dipole, Da:	11.0
IP(EA), eV:	-9.31(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-carbazol-9-yl-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@H]([C@@H]1O)N)C2=C3CC[C@H](C3=NC=C2NC(=O)C4=NC(=C(C=C4)F)C5=C(C=CC=C5F)F)OP(=O)(O)O

DOS

IR

Vibrations