Geometry & MOs

Info

ID:	70561
PubChem CID:	48413515
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	360.26376
ΔH_f, kcal/mol:	-65.1
Dipole, Da:	6.36
IP(EA), eV:	-8.61(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC

DOS

IR

Vibrations