Geometry & MOs

Info

ID:	319100
PubChem CID:	126654768
Reduced:	NO4C23H37 (1)
Stoich.:	AB4C23D37 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-156.33
Dipole, Da:	3.09
IP(EA), eV:	-8.65(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[5-[3-(propan-2-ylamino)propoxy]pyridin-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)COCCCOCCCOC1=CC=C(C=C1)C2(CC2)NC(C)C

DOS

IR

Vibrations