Geometry & MOs

Info

ID:	431906
PubChem CID:	135172027
Reduced:	ON2C14H19 (2)
Stoich.:	AB2C14D19 (2)
Weight, g/mol:	471.32094
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	7.73
IP(EA), eV:	-8.51(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NC=C(C=C3)C#N

DOS

IR

Vibrations