Geometry & MOs

Info

ID:	59092
PubChem CID:	24770862
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	476.203525
ΔH_f, kcal/mol:	-150.87
Dipole, Da:	7.56
IP(EA), eV:	-9.07(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-dimethyl-4-[2-[[(1-methylindazol-4-yl)carbamoylamino]methyl]-5-(trifluoromethyl)phenyl]butanoate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC=C1)C(=O)OC[C@@H]([C@H](CC2=CC=CC=C2)N)O

DOS

IR

Vibrations