Geometry & MOs

Info

ID:	434031
PubChem CID:	135174184
Reduced:	ON2C23H32 (1)
Stoich.:	AB2C23D32 (1)
Weight, g/mol:	467.314792
ΔH_f, kcal/mol:	-18.09
Dipole, Da:	4.24
IP(EA), eV:	-8.69(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-[(4-butylphenyl)methoxy]-5-(2-morpholin-4-ylethoxy)phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)COC2=CC=C(C=C2)CNCC3CCNC3

DOS

IR

Vibrations