Geometry & MOs

Info

ID:	434319
PubChem CID:	135174683
Reduced:	PO4N6C26H33 (1)
Stoich.:	AB4C6D26E33 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-128.63
Dipole, Da:	3.06
IP(EA), eV:	-9.0(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[3-[(azetidin-3-ylmethylamino)methyl]phenoxy]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)COCCNP(=O)(CO[C@H](C)CN2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4)C

DOS

IR

Vibrations