Geometry & MOs

Info

ID:	347086
PubChem CID:	127271590
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-125.57
Dipole, Da:	4.75
IP(EA), eV:	-9.32(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)C(=O)NCC(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations