Geometry & MOs

Info

ID:	32024
PubChem CID:	4253364
Reduced:	NO6C48H69 (1)
Stoich.:	AB6C48D69 (1)
Weight, g/mol:	335.103669
ΔH_f, kcal/mol:	-269.34
Dipole, Da:	2.39
IP(EA), eV:	-9.45(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-chloro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)N(CC2CCC3CC2C3(C)C)CC4(CCC5C4(CCC6C57C=CC8(C6(CCC(C8)O)C)C=C7C(=O)C9=CC=CO9)C)O)C(C)C

DOS

IR

Vibrations