Geometry & MOs

Info

ID:	346080
PubChem CID:	127270568
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	381.219846
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	2.61
IP(EA), eV:	-8.5(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC(=O)N2CCC(CC2)C3=CNC4=CC=CC=C43)C

DOS

IR

Vibrations