Geometry & MOs

Info

ID:	180033
PubChem CID:	76569029
Reduced:	O2N4C37H46 (1)
Stoich.:	A2B4C37D46 (1)
Weight, g/mol:	477.145534
ΔH_f, kcal/mol:	-30.9
Dipole, Da:	5.91
IP(EA), eV:	-8.12(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-[[5-chloro-2-(3-cyanophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)CN3CCC(C3)OC4=CC=CC(=C4)C(=O)NCC5CCN(CC5)C6CCCC6)C7=CC=CC=C71

DOS

IR

Vibrations