Geometry & MOs

Info

ID:	138697
PubChem CID:	52411339
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-43.16
Dipole, Da:	1.06
IP(EA), eV:	-8.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-4-oxobutyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C2=CC(=CC=C2)NC(=O)C3=C(ON=C3C)C(C)C)C

DOS

IR

Vibrations