Geometry & MOs

Info

ID:	138011
PubChem CID:	52299819
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	419.182062
ΔH_f, kcal/mol:	-59.38
Dipole, Da:	4.1
IP(EA), eV:	-8.77(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-methylanilino)-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3[C@@H](CCC4=CC=CC=C43)C)C

DOS

IR

Vibrations