Geometry & MOs

Info

ID:	344575
PubChem CID:	127268159
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	49.47
Dipole, Da:	5.71
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C(=NN=C3N(C2=O)C)CN4CCC(C4)C5=CC=CC=C5C

DOS

IR

Vibrations