Geometry & MOs

Info

ID:	369505
PubChem CID:	127334247
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	394.258006
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	3.25
IP(EA), eV:	-8.6(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-methyl-1-oxo-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C4CCCO4

DOS

IR

Vibrations