Geometry & MOs

Info

ID:	218120
PubChem CID:	85088909
Reduced:	NO4C27H29 (1)
Stoich.:	AB4C27D29 (1)
Weight, g/mol:	431.253255
ΔH_f, kcal/mol:	-81.48
Dipole, Da:	2.94
IP(EA), eV:	-8.84(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,7-diamino-1,2-dioxoheptan-3-yl)-1-[2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(=NOCCOC1=CC=CC(=C1C)CC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations