Geometry & MOs

Info

ID:	305960
PubChem CID:	124976059
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	15.38
Dipole, Da:	7.26
IP(EA), eV:	-8.83(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6R)-6-(1H-indol-5-ylmethyl)-1,4-oxazepan-4-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N2CCC[C@@H](C2)C3=C(C=NN3)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations