Geometry & MOs

Info

ID:	165150
PubChem CID:	74506323
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	476.291317
ΔH_f, kcal/mol:	-57.14
Dipole, Da:	2.79
IP(EA), eV:	-8.98(-0.52)
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-[(4-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CC1CCNCC1CC2=NOC(=C2)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations