Geometry & MOs

Info

ID:	141854
PubChem CID:	52938631
Reduced:	FON8C27H31 (1)
Stoich.:	ABC8D27E31 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	23.34
Dipole, Da:	4.82
IP(EA), eV:	-9.05(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=CC(=C(N=C12)N3CCN(CC3)C(=O)CN(C)C)[C@H](C)NC4=NC=NC5=C4C=CN=C5)F

DOS

IR

Vibrations