Geometry & MOs

Info

ID:	67496
PubChem CID:	46506584
Reduced:	ClN3O3H26C29 (1)
Stoich.:	AB3C3D26E29 (1)
Weight, g/mol:	497.187005
ΔH_f, kcal/mol:	-41.75
Dipole, Da:	13.35
IP(EA), eV:	-8.19(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-(4-ethylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N=C2C(=CC3=CC4=C5C(=C3O2)CCCN5CCC4)C(=O)NC6=CC(=CC=C6)Cl

DOS

IR

Vibrations