Geometry & MOs

Info

ID:	14187
PubChem CID:	406271
Reduced:	NOH12C14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	420.183778
ΔH_f, kcal/mol:	46.36
Dipole, Da:	3.26
IP(EA), eV:	-8.01(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-4-phenyl-9-oxa-3,4-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2,11,13,15,17-hexaene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3CCOC4=C(C3=NN2C5=CC=CC=C5)C=CC6=CC=CC=C64

DOS

IR

Vibrations