Geometry & MOs

Info

ID:	205639
PubChem CID:	80131487
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	16.04
Dipole, Da:	4.3
IP(EA), eV:	-9.79(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyloxetan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1(COC1)CNCC2=NC=NN2C

DOS

IR

Vibrations