Geometry & MOs

Info

ID:	431701
PubChem CID:	135171797
Reduced:	NO2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	493.255226
ΔH_f, kcal/mol:	-124.83
Dipole, Da:	7.38
IP(EA), eV:	-8.53(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)[N+](=O)[O-]

DOS

IR

Vibrations