Geometry & MOs

Info

ID:	322299
PubChem CID:	126669636
Reduced:	OC23H38 (1)
Stoich.:	AB23C38 (1)
Weight, g/mol:	316.226312
ΔH_f, kcal/mol:	-83.05
Dipole, Da:	2.71
IP(EA), eV:	-9.19(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(methylamino)-1-[2-[5-(3-methylbut-1-ynyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCC1CC(C2C1CC(C2)C)C/C=C(/C)\C=C(/C(=C)O)\C(C)(C)C

DOS

IR

Vibrations