Geometry & MOs

Info

ID:	365132
PubChem CID:	127316889
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	280.13872
ΔH_f, kcal/mol:	-87.53
Dipole, Da:	1.98
IP(EA), eV:	-8.82(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-difluorophenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C(C(C)C)NC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations