Geometry & MOs

Info

ID:	75647
PubChem CID:	48423792
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	404.134777
ΔH_f, kcal/mol:	-30.04
Dipole, Da:	3.24
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(=O)C(C)OCC4CC4

DOS

IR

Vibrations