Geometry & MOs

Info

ID:	126860
PubChem CID:	50982271
Reduced:	N5C23H25 (1)
Stoich.:	A5B23C25 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	97.02
Dipole, Da:	3.65
IP(EA), eV:	-8.4(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-[3-(2-ethoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)C2=C(N=CN2CCCCC3=CC=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations