Geometry & MOs

Info

ID:	208179
PubChem CID:	80502291
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	16.82
Dipole, Da:	2.61
IP(EA), eV:	-9.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-3-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(C1)(C#N)C(=O)N(C)CC2=CN=CC=C2

DOS

IR

Vibrations