Geometry & MOs

Info

ID:	27852
PubChem CID:	823922
Reduced:	ClN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	328.121178
ΔH_f, kcal/mol:	-33.49
Dipole, Da:	8.61
IP(EA), eV:	-9.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C#N)Cl

DOS

IR

Vibrations