Geometry & MOs

Info

ID:	392803
PubChem CID:	135018010
Reduced:	N2H20C29 (1)
Stoich.:	A2B20C29 (1)
Weight, g/mol:	400.137577
ΔH_f, kcal/mol:	113.56
Dipole, Da:	1.7
IP(EA), eV:	-7.86(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(4-fluorophenyl)-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)C2=C3C=CC4=C(C3=CC5=C2C6=CC=CC=C6N5)NC7=CC=CC=C47

DOS

IR

Vibrations