Geometry & MOs

Info

ID:	256153
PubChem CID:	103137413
Reduced:	BrOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	-94.91
Dipole, Da:	2.06
IP(EA), eV:	-9.6(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(3-phenylpropyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(C(C)C)C(C)Br

DOS

IR

Vibrations