Geometry & MOs

Info

ID:	365279
PubChem CID:	127317634
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	-56.74
Dipole, Da:	2.54
IP(EA), eV:	-8.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[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)CNC(=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations