Geometry & MOs

Info

ID:	346054
PubChem CID:	127270542
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	367.204196
ΔH_f, kcal/mol:	-126.39
Dipole, Da:	3.02
IP(EA), eV:	-8.92(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C2=CC=CC=C2)C(=O)NCCN3CCOC(C3)(C)C

DOS

IR

Vibrations