Geometry & MOs

Info

ID:	158534
PubChem CID:	56464142
Reduced:	ON3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-46.69
Dipole, Da:	4.29
IP(EA), eV:	-8.33(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CCCCC2)C)C(=O)NCC(C)N(C)C3CC3

DOS

IR

Vibrations