Geometry & MOs

Info

ID:	177296
PubChem CID:	76163842
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	844.463582
ΔH_f, kcal/mol:	-70.55
Dipole, Da:	2.52
IP(EA), eV:	-9.12(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-6-oxo-7-prop-1-enyl-N-propyl-1-(pyridin-2-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

Drug info:

PubChemData

Smile

C1C2C(C(C(N2)C3=CC=CC(=O)N31)C(=O)NCC4=CC=CC=C4)CO

DOS

IR

Vibrations