Geometry & MOs

Info

ID:	434091
PubChem CID:	135174249
Reduced:	FSP2N10O10C21H27 (1)
Stoich.:	ABC2D10E10F21G27 (1)
Weight, g/mol:	338.235814
ΔH_f, kcal/mol:	-479.18
Dipole, Da:	11.63
IP(EA), eV:	-9.12(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)OC[C@@H]2C(OC(C2F)N3C=NC4=C(N=CN=C43)N)COP(=S)(O)O)N5C=NC6=C5NC(=NC6=O)N

DOS

IR

Vibrations