Geometry & MOs

Info

ID:	177304
PubChem CID:	76164616
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-35.64
Dipole, Da:	3.45
IP(EA), eV:	-8.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(cyclopenten-1-yl)-1-(cyclopropanecarbonyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)C1C(C2CN3C(=CC=C(C3=O)C4=CCCCC4)C1N2CC)CO

DOS

IR

Vibrations