Geometry & MOs

Info

ID:	148181
PubChem CID:	53787843
Reduced:	OC4H5 (6)
Stoich.:	AB4C5 (6)
Weight, g/mol:	302.153147
ΔH_f, kcal/mol:	-228.43
Dipole, Da:	6.51
IP(EA), eV:	-9.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-1-propan-2-ylbenzimidazol-5-yl)-3-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OCC(COCC2=CC=CC=C2)OC3CCCCO3

DOS

IR

Vibrations