Geometry & MOs

Info

ID:	435738
PubChem CID:	135192283
Reduced:	NO2F4C40H41 (1)
Stoich.:	AB2C4D40E41 (1)
Weight, g/mol:	200.188863
ΔH_f, kcal/mol:	-216.06
Dipole, Da:	11.25
IP(EA), eV:	-9.06(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-butyl-N,N-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2=CC=C(C=C2)CCCCCC(O)OC3=CC=C(C=C3)C4=CC(=C(C(=C4)F)C5=CC(=C(C(=C5)F)C#N)F)F

DOS

IR

Vibrations