Geometry & MOs

Info

ID:	417290
PubChem CID:	135091951
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	320.148455
ΔH_f, kcal/mol:	-21.61
Dipole, Da:	7.48
IP(EA), eV:	-8.8(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-[2-(carbamoylamino)acetyl]-3-hydroxypiperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C(=NN12)C)C(=O)N(CCO)CC3=CN=C(N3)C)C

DOS

IR

Vibrations