Geometry & MOs

Info

ID:	432267
PubChem CID:	135172399
Reduced:	O2N3C17H21 (2)
Stoich.:	A2B3C17D21 (2)
Weight, g/mol:	258.209599
ΔH_f, kcal/mol:	-51.03
Dipole, Da:	2.71
IP(EA), eV:	-8.74(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[[3-(4-propan-2-ylphenyl)azetidin-1-yl]methyl]azetidine

Drug info:

PubChemData

Smile

C1CC(C1)NC(=O)CN2CCN(CC2)CCOC3=C4COC/C=C/COCC5=CC(=CC=C5)C6=NC(=NC=C6)NC(=C4)C=C3

DOS

IR

Vibrations