Geometry & MOs

Info

ID:	299308
PubChem CID:	117682571
Reduced:	NOH26C32 (2)
Stoich.:	ABC26D32 (2)
Weight, g/mol:	269.177964
ΔH_f, kcal/mol:	129.95
Dipole, Da:	1.12
IP(EA), eV:	-7.61(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[4-(2-methylpentan-2-yl)phenoxy]pyridine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=C(O2)C(=CC=C3)N(C4=CC=CC=C4)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7C9CCCC9)N(C1=CC=CC=C1)C1=CC=CC2=C1OC1=C(C=CC=C21)C)C(=C5)C1CCCC1

DOS

IR

Vibrations