Geometry & MOs

Info

ID:	371147
PubChem CID:	127342591
Reduced:	O2F3N3C12H18 (1)
Stoich.:	A2B3C3D12E18 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-262.71
Dipole, Da:	3.9
IP(EA), eV:	-9.68(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NC(=O)N2CCCC(C2)C(F)(F)F

DOS

IR

Vibrations