Geometry & MOs

Info

ID:	187176
PubChem CID:	77539603
Reduced:	N7H19C21 (1)
Stoich.:	A7B19C21 (1)
Weight, g/mol:	358.150427
ΔH_f, kcal/mol:	135.11
Dipole, Da:	10.03
IP(EA), eV:	-8.89(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC=C2C3=NC(=NC=C3C#N)NC(C)C4=CC(=CC=C4)N

DOS

IR

Vibrations