Geometry & MOs

Info

ID:	320612
PubChem CID:	126662047
Reduced:	NO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	454.258006
ΔH_f, kcal/mol:	-124.49
Dipole, Da:	1.38
IP(EA), eV:	-8.92(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[1-(3-ethyl-1,2,4-oxadiazol-5-yl)azepan-4-yl]methoxy]phenyl]-N-methoxycyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(CCC(=C)C1=CC=CC=CC1)C(=O)NC(CCO)CO

DOS

IR

Vibrations