Geometry & MOs

Info

ID:	369236
PubChem CID:	127331553
Reduced:	N3O3C19H31 (1)
Stoich.:	A3B3C19D31 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-157.08
Dipole, Da:	6.04
IP(EA), eV:	-9.3(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-N-[(2-tert-butyloxan-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C)CCC(=O)NCC2CCCOC2C(C)(C)C

DOS

IR

Vibrations