Geometry & MOs

Info

ID:	165152
PubChem CID:	74506325
Reduced:	N3O3C29H37 (1)
Stoich.:	A3B3C29D37 (1)
Weight, g/mol:	476.291317
ΔH_f, kcal/mol:	-59.72
Dipole, Da:	10.11
IP(EA), eV:	-8.89(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-1-ium-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NO2)CC3CNCCC3CC(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations