Geometry & MOs

Info

ID:	445751
PubChem CID:	135269332
Reduced:	NOSC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	494.177704
ΔH_f, kcal/mol:	-10.69
Dipole, Da:	2.84
IP(EA), eV:	-9.48(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-hydroxyethoxy)ethyl]-2-(3-hydroxyphenoxy)-5-(methylamino)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)/C=C/C1=NC=C(S1)C

DOS

IR

Vibrations