Geometry & MOs

Info

ID:	145560
PubChem CID:	53545257
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-79.38
Dipole, Da:	6.28
IP(EA), eV:	-9.28(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropylthiophen-2-yl)-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N(C)C(=O)C1CCCN(C1)C(=O)NC2=CC=NC=C2

DOS

IR

Vibrations