Geometry & MOs

Info

ID:	318107
PubChem CID:	126648981
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	452.169585
ΔH_f, kcal/mol:	-168.7
Dipole, Da:	5.18
IP(EA), eV:	-9.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[3-[[4-(hydroxycarbamoyl)phenyl]methylcarbamoyl]-1,2-oxazol-5-yl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCCCOC(=O)N1CCC2=C(CC1)C=C(C=C2)C(=O)O

DOS

IR

Vibrations