Geometry & MOs

Info

ID:	126956
PubChem CID:	50985293
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	4.36
IP(EA), eV:	-8.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2CCN(CC2)CC3=C(C=CC=N3)C(=O)O

DOS

IR

Vibrations