Geometry & MOs

Info

ID:	433611
PubChem CID:	135173751
Reduced:	N9C39H41 (1)
Stoich.:	A9B39C41 (1)
Weight, g/mol:	300.172545
ΔH_f, kcal/mol:	158.35
Dipole, Da:	5.58
IP(EA), eV:	-8.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-methoxypropoxy)propoxy]-4-phenylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=NC3=C2N=CC(=C3)CN4CCCC4)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCCC8)C

DOS

IR

Vibrations