Geometry & MOs

Info

ID:	173954
PubChem CID:	75705444
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	480.259977
ΔH_f, kcal/mol:	-149.22
Dipole, Da:	2.6
IP(EA), eV:	-9.13(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[2-oxo-1-[4-(trifluoromethyl)phenyl]-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC(=CC=C1)O)N(CC2=CC=CO2)C(=O)CCC

DOS

IR

Vibrations