Geometry & MOs

Info

ID:	193971
PubChem CID:	78461674
Reduced:	O2N4C20H31 (1)
Stoich.:	A2B4C20D31 (1)
Weight, g/mol:	165.139174
ΔH_f, kcal/mol:	-63.55
Dipole, Da:	3.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752292
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CC(CC2=O)NC(=O)N(C)C3CC[NH+](CC3)C)C

DOS

IR

Vibrations