Geometry & MOs

Info

ID:	243777
PubChem CID:	99239528
Reduced:	ClN2O4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-119.04
Dipole, Da:	5.09
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-methylphenyl)methyl-[(3S)-1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations