Geometry & MOs

Info

ID:	235150
PubChem CID:	92304135
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-78.41
Dipole, Da:	6.19
IP(EA), eV:	-9.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(benzimidazol-1-yl)-4-[(1R)-1-ethoxyethoxy]-4-methylpent-2-enenitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CN2CCC[C@@H]2C(=O)O

DOS

IR

Vibrations