Geometry & MOs

Info

ID:	368508
PubChem CID:	127329320
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	3.26
IP(EA), eV:	-8.7(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=C(OC=N3)C

DOS

IR

Vibrations