Geometry & MOs

Info

ID:	330657
PubChem CID:	127248064
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	356.161518
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	4.04
IP(EA), eV:	-8.48(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1,2-oxazol-5-yl)-1-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2(CCN(C2)C(=O)CC3=CC(=CC=C3)OC)O

DOS

IR

Vibrations