Geometry & MOs

Info

ID:	350275
PubChem CID:	127277353
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	312.204907
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	2.63
IP(EA), eV:	-8.41(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[methyl(oxane-3-carbonyl)amino]ethyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)NC2=CC3=C(C=C2)N=C(N3)N4CCOCC4

DOS

IR

Vibrations