Geometry & MOs

Info

ID:	416661
PubChem CID:	135089978
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	386.206639
ΔH_f, kcal/mol:	-19.78
Dipole, Da:	5.71
IP(EA), eV:	-9.09(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2CCCN2C(=O)C3=CC=CN3C

DOS

IR

Vibrations