Geometry & MOs

Info

ID:	355483
PubChem CID:	127288546
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	266.123069
ΔH_f, kcal/mol:	-84.87
Dipole, Da:	6.41
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,6-difluorophenyl)methanone

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4

DOS

IR

Vibrations