Geometry & MOs

Info

ID:	272658
PubChem CID:	103750760
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-63.65
Dipole, Da:	5.49
IP(EA), eV:	-9.68(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(1-hydroxy-4-methylpentan-3-yl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)C1=NC2=CC=CC=C2C=C1

DOS

IR

Vibrations