Geometry & MOs

Info

ID:	156696
PubChem CID:	56371768
Reduced:	SN4O5H18C19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	402.263091
ΔH_f, kcal/mol:	-106.59
Dipole, Da:	4.5
IP(EA), eV:	-8.87(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-[2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]acetyl]anilino)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)COC(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations