Geometry & MOs

Info

ID:	347602
PubChem CID:	127272457
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	28.12
Dipole, Da:	5.05
IP(EA), eV:	-8.94(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCN(CC2)CC3=CC=CC=N3)C

DOS

IR

Vibrations