Geometry & MOs

Info

ID:	74096
PubChem CID:	48421458
Reduced:	ClON5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	348.216141
ΔH_f, kcal/mol:	29.79
Dipole, Da:	5.71
IP(EA), eV:	-8.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-(pyridin-4-ylcarbamoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)NC2=CC(=C(C=C2)NC(C)C3=CC=CC=C3)Cl)C

DOS

IR

Vibrations