Geometry & MOs

Info

ID:	392653
PubChem CID:	135017504
Reduced:	NC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	358.121846
ΔH_f, kcal/mol:	34.5
Dipole, Da:	1.43
IP(EA), eV:	-8.02(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,11,16,25-tetrazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),19,21,23,27-tridecaene

Drug info:

PubChemData

Smile

CCCC1=C2C3=CC=CC=C3N(C2=CC=C1)C

DOS

IR

Vibrations