Geometry & MOs

Info

ID:	251158
PubChem CID:	103101814
Reduced:	O2N3C12H23 (1)
Stoich.:	A2B3C12D23 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-116.03
Dipole, Da:	3.72
IP(EA), eV:	-9.44(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1CCCCC1CN

DOS

IR

Vibrations