Geometry & MOs

Info

ID:	356561
PubChem CID:	127291787
Reduced:	SO2N4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	390.263091
ΔH_f, kcal/mol:	-58.01
Dipole, Da:	2.9
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=C(N=C(S3)CC(C)C)C)C

DOS

IR

Vibrations