Geometry & MOs

Info

ID:	422492
PubChem CID:	135117922
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	300.206245
ΔH_f, kcal/mol:	14.27
Dipole, Da:	5.01
IP(EA), eV:	-8.62(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2CN(C2)C(=O)CSCC3CC3)C

DOS

IR

Vibrations