Geometry & MOs

Info

ID:	362735
PubChem CID:	127309280
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	348.196154
ΔH_f, kcal/mol:	-96.08
Dipole, Da:	4.61
IP(EA), eV:	-9.14(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCNC(=O)NCC2CCC3=CC=CC=C23

DOS

IR

Vibrations