Geometry & MOs

Info

ID:	256021
PubChem CID:	103136412
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	316.02113
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	4.11
IP(EA), eV:	-8.28(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromofuran-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=CC3=C2C=C(C=C3)CNC

DOS

IR

Vibrations