Geometry & MOs

Info

ID:	240256
PubChem CID:	93576726
Reduced:	N3O3C28H29 (1)
Stoich.:	A3B3C28D29 (1)
Weight, g/mol:	455.220892
ΔH_f, kcal/mol:	-40.69
Dipole, Da:	2.32
IP(EA), eV:	-8.61(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)CC(C)C)C2=NC3=CC=CC=C3N2CC(=O)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations