Geometry & MOs

Info

ID:	432527
PubChem CID:	135172660
Reduced:	O4C20H29 (2)
Stoich.:	A4B20C29 (2)
Weight, g/mol:	127.099714
ΔH_f, kcal/mol:	-367.77
Dipole, Da:	0.46
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminopropyl)cyclobutan-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=CC(=C3)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations