Geometry & MOs

Info

ID:	196561
PubChem CID:	78848645
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-48.81
Dipole, Da:	6.55
IP(EA), eV:	-8.72(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-4,6-dimethylpyrimidine

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)N)C2=C(C=CC=N2)C(=O)N

DOS

IR

Vibrations