Geometry & MOs

Info

ID:	28893
PubChem CID:	830386
Reduced:	ClNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	328.121178
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	3.72
IP(EA), eV:	-8.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@](C2)(C1=O)C(=O)NC3=CC=CC=C3Cl)C

DOS

IR

Vibrations