Geometry & MOs

Info

ID:	327240
PubChem CID:	126689318
Reduced:	F3N4O4C24H25 (1)
Stoich.:	A3B4C4D24E25 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-267.72
Dipole, Da:	5.38
IP(EA), eV:	-8.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(but-3-enylamino)-3-nitrophenyl]-1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1CC[C@H](C1=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC[C@H](CO)O

DOS

IR

Vibrations