Geometry & MOs

Info

ID:	364166
PubChem CID:	127314462
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-47.36
Dipole, Da:	1.41
IP(EA), eV:	-9.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[(3-methyloxetan-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)N(C)CC2=CN=CC=C2

DOS

IR

Vibrations