Geometry & MOs

Info

ID:	358888
PubChem CID:	127296759
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	351.209282
ΔH_f, kcal/mol:	-72.21
Dipole, Da:	5.38
IP(EA), eV:	-9.39(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpiperidin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC2CCN(CC2)C(=O)NCC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations