Geometry & MOs

Info

ID:	256169
PubChem CID:	103137516
Reduced:	BrN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	341.05276
ΔH_f, kcal/mol:	79.19
Dipole, Da:	2.16
IP(EA), eV:	-8.29(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[(2-bromophenyl)methyl]-8-N-methylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)Br)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations