Geometry & MOs

Info

ID:	392802
PubChem CID:	135018008
Reduced:	N2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	396.162649
ΔH_f, kcal/mol:	66.21
Dipole, Da:	1.67
IP(EA), eV:	-8.17(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(4-methylphenyl)-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N/N=C/C2=CC=CC=C2

DOS

IR

Vibrations