Geometry & MOs

Info

ID:	371355
PubChem CID:	127345844
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-100.84
Dipole, Da:	6.59
IP(EA), eV:	-9.0(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-2-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=NC=C1)NC(=O)CC2CCOC2

DOS

IR

Vibrations