Geometry & MOs

Info

ID:	365532
PubChem CID:	127317980
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	362.211804
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	4.19
IP(EA), eV:	-8.29(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCCC(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations