Geometry & MOs

Info

ID:	365044
PubChem CID:	127316704
Reduced:	O2N3C17H29 (1)
Stoich.:	A2B3C17D29 (1)
Weight, g/mol:	280.13872
ΔH_f, kcal/mol:	-116.85
Dipole, Da:	0.9
IP(EA), eV:	-8.69(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-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)NC(=O)C3CCCC3

DOS

IR

Vibrations