Geometry & MOs

Info

ID:	432278
PubChem CID:	135172411
Reduced:	N3C5H11 (1)
Stoich.:	A3B5C11 (1)
Weight, g/mol:	672.07698
ΔH_f, kcal/mol:	45.75
Dipole, Da:	3.41
IP(EA), eV:	-8.78(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,13-bis(4-bromophenyl)-8-ethoxy-4-(2-hydroxyethyl)-6-methoxy-9-methyl-1,4,11,14-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),7,10-trien-15-one

Drug info:

PubChemData

Smile

CC(=NC)N(C)N=C

DOS

IR

Vibrations