Geometry & MOs

Info

ID:	56826
PubChem CID:	22394240
Reduced:	N2O5F9H23C26 (1)
Stoich.:	A2B5C9D23E26 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-639.66
Dipole, Da:	6.96
IP(EA), eV:	-9.23(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxyethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(CC(N2C(=O)O)C3CC3)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)OC)C(F)(F)F

DOS

IR

Vibrations