Geometry & MOs

Info

ID:	265944
PubChem CID:	103556911
Reduced:	NOSC14H23 (1)
Stoich.:	ABCD14E23 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-30.23
Dipole, Da:	3.39
IP(EA), eV:	-8.76(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxycyclobutyl)-N-methyl-3-(4-nitrophenyl)propan-2-amine

Drug info:

PubChemData

Smile

CCNC(CC1=CC=CS1)CC2(CCC2)OC

DOS

IR

Vibrations