Geometry & MOs

Info

ID:	170810
PubChem CID:	75282770
Reduced:	N2O5C28H34 (1)
Stoich.:	A2B5C28D34 (1)
Weight, g/mol:	435.176976
ΔH_f, kcal/mol:	-192.55
Dipole, Da:	4.32
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethoxy-6-methylpyridin-2-yl)-[4-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CN(C(=O)C=C2)C)N3CCC(OC3=O)(CC(C)(C)O)C4=CC=CC=C4.O

DOS

IR

Vibrations