Geometry & MOs

Info

ID:	209507
PubChem CID:	80682195
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	289.134575
ΔH_f, kcal/mol:	-56.19
Dipole, Da:	4.83
IP(EA), eV:	-9.06(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC(=O)COC2CCNCC2

DOS

IR

Vibrations