Geometry & MOs

Info

ID:	126326
PubChem CID:	50959791
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-51.31
Dipole, Da:	6.96
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(5-ethyl-1,2,4-oxadiazol-3-ylidene)-7-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[4,5-c]azepin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1CCNC(C)COC2=CC=CC=C2)C

DOS

IR

Vibrations