Geometry & MOs

Info

ID:	336456
PubChem CID:	127255463
Reduced:	NH11C14 (3)
Stoich.:	AB11C14 (3)
Weight, g/mol:	372.13216
ΔH_f, kcal/mol:	186.49
Dipole, Da:	1.39
IP(EA), eV:	-7.74(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pyren-1-ylnaphthalen-1-yl)boronic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations