Geometry & MOs

Info

ID:	149128
PubChem CID:	53788800
Reduced:	O4N5C17H21 (1)
Stoich.:	A4B5C17D21 (1)
Weight, g/mol:	597.331505
ΔH_f, kcal/mol:	-99.46
Dipole, Da:	9.54
IP(EA), eV:	-9.32(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[[2-butyl-6-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzimidazol-1-yl]methyl]phenoxy]-2-pyridin-2-ylacetate

Drug info:

PubChemData

Smile

C1CC1N2C=C(C(=O)C3=CN=C(N=C32)N4CCN(CC4)CCO)C(=O)O

DOS

IR

Vibrations