Geometry & MOs

Info

ID:	325437
PubChem CID:	126683275
Reduced:	BrNH18C30 (1)
Stoich.:	ABC18D30 (1)
Weight, g/mol:	357.15175
ΔH_f, kcal/mol:	147.18
Dipole, Da:	1.04
IP(EA), eV:	-8.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-[3-(4-methylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2N3C4=CC=CC5=C4C6=C(C=CC=C63)C=C5)C7=CC=C(C=C7)Br

DOS

IR

Vibrations