Geometry & MOs

Info

ID:	360445
PubChem CID:	127301090
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-66.14
Dipole, Da:	5.78
IP(EA), eV:	-8.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylpiperazin-1-yl)-(2-hydroxy-3,4-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)C2=CC=CN(C2=O)C)C

DOS

IR

Vibrations