Geometry & MOs

Info

ID:	223961
PubChem CID:	85336334
Reduced:	ClN7C20H24 (1)
Stoich.:	AB7C20D24 (1)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	85.2
Dipole, Da:	2.15
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=NC(=N2)NC3CC(NN3)C(C)C)C4=CC=CN4)Cl

DOS

IR

Vibrations