Geometry & MOs

Info

ID:	294030
PubChem CID:	117422845
Reduced:	ClNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-93.41
Dipole, Da:	3.46
IP(EA), eV:	-9.2(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)cyclobutan-1-amine

Drug info:

PubChemData

Smile

CC1(COC2=C(C(=CC(=C2)CN=C=O)Cl)OC1)C

DOS

IR

Vibrations