Geometry & MOs

Info

ID:	421842
PubChem CID:	135116708
Reduced:	N5O8C36H45 (1)
Stoich.:	A5B8C36D45 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-228.58
Dipole, Da:	7.68
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pent-3-enamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)C4=COC=C4

DOS

IR

Vibrations