Geometry & MOs

Info

ID:	293179
PubChem CID:	117375932
Reduced:	FNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-103.38
Dipole, Da:	5.62
IP(EA), eV:	-8.99(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(aminomethyl)cyclobutyl]-2,3-dimethoxybenzaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC)F)C2(CCCC2)N=C=O

DOS

IR

Vibrations