Geometry & MOs

Info

ID:

322574

PubChem CID:

126670554

Reduced:

BrN2H17C19 (1)

Stoich.:

AB2C17D19 (1)

Weight, g/mol:

598.273262

ΔHf, kcal/mol:

77.19

Dipole, Da:

3.16

IP(EA), eV:

 -8.57(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)phenoxy]-10,13,13-trimethyl-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N(C2=CC(=CC=C2)Br)C3=CC=CC=C3C

DOS

IR

Vibrations