Geometry & MOs

Info

ID:	365237
PubChem CID:	127317085
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-5.07
Dipole, Da:	7.6
IP(EA), eV:	-8.82(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylcarbamoyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations