Geometry & MOs

Info

ID:	320851
PubChem CID:	126663871
Reduced:	ClN2O8H31C36 (1)
Stoich.:	AB2C8D31E36 (1)
Weight, g/mol:	141.15175
ΔH_f, kcal/mol:	-149.91
Dipole, Da:	4.16
IP(EA), eV:	-9.29(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylcyclobutyl)-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CN(C)[C@H]1[C@@H]2CC3CC4=C(C(=CC(=C4C(=C3C(=O)[C@@]2(C(=O)C5=C1ON=C5OCC6=CC=CC=C6)O)O)OCC7=CC=CC=C7)C=O)Cl

DOS

IR

Vibrations