Geometry & MOs

Info

ID:	353931
PubChem CID:	127285571
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-22.03
Dipole, Da:	7.38
IP(EA), eV:	-8.93(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)NC(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C

DOS

IR

Vibrations