Geometry & MOs

Info

ID:	122674
PubChem CID:	50816869
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	2.46
IP(EA), eV:	-8.42(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(N2)C(=O)N3CCC(CC3)CC(=O)NCC4=CC=CO4

DOS

IR

Vibrations