Geometry & MOs

Info

ID:	126417
PubChem CID:	50964166
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	347.268511
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	3.37
IP(EA), eV:	-8.64(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

C1CCC2(C1)CN(CCO2)C3=NC=CC(=N3)N4CCCC(C4)O

DOS

IR

Vibrations