Geometry & MOs

Info

ID:	177302
PubChem CID:	76164356
Reduced:	F3N3O3C20H26 (1)
Stoich.:	A3B3C3D20E26 (1)
Weight, g/mol:	472.211055
ΔH_f, kcal/mol:	-278.63
Dipole, Da:	4.98
IP(EA), eV:	-8.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(hydroxymethyl)-6-oxo-7-phenyl-1-(2-pyridin-3-ylacetyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1C(C2CN3C(=CC=C(C3=O)C=CC)C2N1CCC(F)(F)F)CO

DOS

IR

Vibrations