Geometry & MOs

Info

ID:	322676
PubChem CID:	126670785
Reduced:	NC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	528.06986
ΔH_f, kcal/mol:	19.05
Dipole, Da:	2.62
IP(EA), eV:	-8.81(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-iodo-14-phenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-one

Drug info:

PubChemData

Smile

CC(C)(C)CC1=C2C(=CC=C1)NC=N2

DOS

IR

Vibrations