Geometry & MOs

Info

ID:	434038
PubChem CID:	135174191
Reduced:	NPO4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	444.277678
ΔH_f, kcal/mol:	-141.55
Dipole, Da:	1.73
IP(EA), eV:	-9.33(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-[(4-butylphenyl)methoxy]-5-phenylmethoxyphenyl]methyl]methanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCOP(COCCN)OC2=CC=CC=C2

DOS

IR

Vibrations