Geometry & MOs

Info

ID:	300450
PubChem CID:	121283389
Reduced:	O2F3N4C24H29 (1)
Stoich.:	A2B3C4D24E29 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-210.94
Dipole, Da:	6.08
IP(EA), eV:	-8.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-amino-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C=CC=C2NCC(=O)N(CCNC)CC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations