Geometry & MOs

Info

ID:	438163
PubChem CID:	135227791
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	455.232125
ΔH_f, kcal/mol:	-38.36
Dipole, Da:	4.94
IP(EA), eV:	-8.41(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazol-4-yl]-3-iminoprop-1-en-1-amine

Drug info:

PubChemData

Smile

CCOC1=CC(=CN(C1=O)C)C2=CC3=C(C=C2)N=CN3C(C4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations