Geometry & MOs

Info

ID:	173357
PubChem CID:	75627153
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	332.152478
ΔH_f, kcal/mol:	-8.37
Dipole, Da:	1.7
IP(EA), eV:	-9.19(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-(2-benzylpyrrolidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCCC2=NC(=O)C3C=CC=CC3=N2)CC4=CC=CC=C4

DOS

IR

Vibrations