Geometry & MOs

Info

ID:	240258
PubChem CID:	93576728
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	469.236542
ΔH_f, kcal/mol:	-51.18
Dipole, Da:	4.03
IP(EA), eV:	-8.47(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-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)OCCO5

DOS

IR

Vibrations