Geometry & MOs

Info

ID:	358308
PubChem CID:	127295853
Reduced:	NOC4H7 (4)
Stoich.:	ABC4D7 (4)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	-195.09
Dipole, Da:	4.7
IP(EA), eV:	-9.42(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)NCC2CCOCC2

DOS

IR

Vibrations