Geometry & MOs

Info

ID:	256431
PubChem CID:	103139200
Reduced:	ON2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	234.99966
ΔH_f, kcal/mol:	29.93
Dipole, Da:	2.41
IP(EA), eV:	-9.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-bromoethyl)isoquinoline

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations