Geometry & MOs

Info

ID:	148634
PubChem CID:	53788302
Reduced:	O5N6C28H32 (1)
Stoich.:	A5B6C28D32 (1)
Weight, g/mol:	449.210327
ΔH_f, kcal/mol:	-102.15
Dipole, Da:	2.51
IP(EA), eV:	-7.78(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[4-(benzimidazol-1-yl)butyl]phenoxy]methyl]-2-(2-phenylethenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=NN=C(O2)C(=O)[C@H](C(C)C)NC(=O)CN3C(=C(NC3=O)C4=CC=C(C=C4)N(C)C)O

DOS

IR

Vibrations