Geometry & MOs

Info

ID:	174845
PubChem CID:	75821876
Reduced:	O2N3H21C25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	290.223238
ΔH_f, kcal/mol:	41.49
Dipole, Da:	8.2
IP(EA), eV:	-8.55(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-cycloheptyl-2-(1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC=C)C)C(=C(C#N)C(=O)C2=CC3=C(N2)C=CC4=CC=CC=C43)O

DOS

IR

Vibrations