Geometry & MOs

Info

ID:	365131
PubChem CID:	127316888
Reduced:	FO2N4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-133.66
Dipole, Da:	2.75
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C(=O)N1CC2CCCN2CC1C)NC(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations