Geometry & MOs

Info

ID:	355478
PubChem CID:	127288541
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	334.180504
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	4.57
IP(EA), eV:	-8.63(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations