Geometry & MOs

Info

ID:	305661
PubChem CID:	124964325
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	-19.81
Dipole, Da:	3.66
IP(EA), eV:	-8.69(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=NC=C(N=C1)C[C@@H]2CCCN(C2)C

DOS

IR

Vibrations