Geometry & MOs

Info

ID:	258509
PubChem CID:	103154604
Reduced:	ClN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-91.94
Dipole, Da:	3.55
IP(EA), eV:	-9.3(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(6-pyrrolidin-1-ylpyridin-3-yl)butanamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Cl)NC(=O)CC(CN)OC

DOS

IR

Vibrations