Geometry & MOs

Info

ID:	206307
PubChem CID:	80228426
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-55.94
Dipole, Da:	7.57
IP(EA), eV:	-8.59(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-2-methylphenyl)-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)N2CCN(C(=O)C2(C)C)C)N

DOS

IR

Vibrations