Geometry & MOs

Info

ID:	434101
PubChem CID:	135174259
Reduced:	PSO7N10C20H25 (1)
Stoich.:	ABC7D10E20F25 (1)
Weight, g/mol:	278.178299
ΔH_f, kcal/mol:	-219.67
Dipole, Da:	11.54
IP(EA), eV:	-9.06(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-[(Z)-2-phenylethenyl]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

C1CC(OC1COP(=S)(O)O[C@@H]2CC(OC2N3C=NC4=C3NC(=NC4=O)N)CO)C5=CN=C6N5N=CN=C6N

DOS

IR

Vibrations