Geometry & MOs

Info

ID:	365106
PubChem CID:	127316848
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	348.196154
ΔH_f, kcal/mol:	-9.8
Dipole, Da:	5.58
IP(EA), eV:	-8.95(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC4=C(N=C3)ON=C4C(C)C

DOS

IR

Vibrations