Geometry & MOs

Info

ID:	397949
PubChem CID:	135031121
Reduced:	BrNH14C17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	340.182715
ΔH_f, kcal/mol:	60.13
Dipole, Da:	1.05
IP(EA), eV:	-9.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-(4-phenylbutyl)-1H-isochromene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NC=CC3=C2C=CC(=C3)Br

DOS

IR

Vibrations