Geometry & MOs

Info

ID:	81954
PubChem CID:	49855398
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	11.34
Dipole, Da:	2.64
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(6-propan-2-yloxypyridin-3-yl)oxyphenyl]butan-2-yl]formamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1)N2CC3C(C2)C3CNCC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations