Geometry & MOs

Info

ID:	415701
PubChem CID:	135088701
Reduced:	O5N8C30H42 (1)
Stoich.:	A5B8C30D42 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-172.62
Dipole, Da:	12.73
IP(EA), eV:	-9.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indol-7-yl-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)CCCN3C=NC=N3)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations