Geometry & MOs

Info

ID:	148023
PubChem CID:	53787685
Reduced:	NOC4H5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	393.155178
ΔH_f, kcal/mol:	-60.43
Dipole, Da:	5.13
IP(EA), eV:	-9.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-acetyl-5-methyl-7-[2-(trifluoromethyl)phenyl]-1,2,3,7-tetrahydroindolizine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=NC1=O)C)C(=O)C

DOS

IR

Vibrations