Geometry & MOs

Info

ID:	431803
PubChem CID:	135171909
Reduced:	N3O6C24H37 (1)
Stoich.:	A3B6C24D37 (1)
Weight, g/mol:	431.28964
ΔH_f, kcal/mol:	-210.74
Dipole, Da:	4.31
IP(EA), eV:	-8.88(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[bis(2-methylpropyl)amino]-3-[[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)OC(C)C)C2=C(C=C(C=C2)C(C)CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations