Geometry & MOs

Info

ID:	356132
PubChem CID:	127291168
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-97.74
Dipole, Da:	5.71
IP(EA), eV:	-9.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)NC3CCCOC3

DOS

IR

Vibrations