Geometry & MOs

Info

ID:	397948
PubChem CID:	135031120
Reduced:	NOSiC19H39 (1)
Stoich.:	ABCD19E39 (1)
Weight, g/mol:	311.03096
ΔH_f, kcal/mol:	-152.35
Dipole, Da:	2.54
IP(EA), eV:	-8.37(1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-1-[(4-methylphenyl)methyl]isoquinoline

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](N2[C@H]1CCC2)CCCCO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations