Geometry & MOs

Info

ID:	177294
PubChem CID:	76163420
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-5.24
Dipole, Da:	4.6
IP(EA), eV:	-9.11(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCCNC(=O)C1C(C2CN3C(=O)C=CC=C3C1N2CC4CC4)CO

DOS

IR

Vibrations