Geometry & MOs

Info

ID:	217994
PubChem CID:	85088707
Reduced:	N6C25H34 (1)
Stoich.:	A6B25C34 (1)
Weight, g/mol:	418.05684
ΔH_f, kcal/mol:	95.95
Dipole, Da:	9.17
IP(EA), eV:	-8.47(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-6-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),8,10,12,15,17,19,21-nonaenyl) acetate

Drug info:

PubChemData

Smile

CC(C)(C)CN(CC1=CC=C(C=C1)C=CCN2CCN(CC2)C)C3=NC(=NC=C3)C#N

DOS

IR

Vibrations