Geometry & MOs

Info

ID:	314301
PubChem CID:	126621244
Reduced:	OH9C10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	609.356657
ΔH_f, kcal/mol:	-10.3
Dipole, Da:	2.67
IP(EA), eV:	-8.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[2-[[4-(dimethylamino)phenyl]-methoxy-phenylmethoxy]ethyl-methylamino]phenyl]-1,3-dioxepan-2-yl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

C1CCOC2=CC=CC3=C2C(=CC=C3)C4=CC=CC=C4OC1

DOS

IR

Vibrations