Geometry & MOs

Info

ID:	354802
PubChem CID:	127287562
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-49.77
Dipole, Da:	2.43
IP(EA), eV:	-8.71(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)thiophen-2-yl]-3-phenylurea

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CC(=O)N2CCN3CCCCC3C2

DOS

IR

Vibrations