Geometry & MOs

Info

ID:	420060
PubChem CID:	135110940
Reduced:	NOC22H27 (1)
Stoich.:	ABC22D27 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-18.72
Dipole, Da:	3.18
IP(EA), eV:	-8.68(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-4-ylmethyl)-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)CC3=CC=CC=C3C4=CC=CC=C4)O

DOS

IR

Vibrations