Geometry & MOs

Info

ID:	324342
PubChem CID:	126677472
Reduced:	ClO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	241.18305
ΔH_f, kcal/mol:	-43.15
Dipole, Da:	3.28
IP(EA), eV:	-8.48(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexa-2,4-dien-1-ylmethyl)-4-azatetracyclo[4.3.2.01,8.03,10]undecane

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)NCCO)NC3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations