Geometry & MOs

Info

ID:	243767
PubChem CID:	99239476
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	-55.52
Dipole, Da:	5.63
IP(EA), eV:	-9.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-[(4-methylphenyl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)CCC2=C(N3C(=NC=N3)N=C2C)C

DOS

IR

Vibrations