Geometry & MOs

Info

ID:	62093
PubChem CID:	26717552
Reduced:	ClO2N4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	292.121178
ΔH_f, kcal/mol:	19.43
Dipole, Da:	6.71
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C/C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations