Geometry & MOs

Info

ID:	256882
PubChem CID:	103142116
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	218.178299
ΔH_f, kcal/mol:	39.52
Dipole, Da:	7.59
IP(EA), eV:	-9.09(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CN(C1CCCNC1)C2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations