Geometry & MOs

Info

ID:	366498
PubChem CID:	127319995
Reduced:	O2N7C20H29 (1)
Stoich.:	A2B7C20D29 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	-35.27
Dipole, Da:	2.3
IP(EA), eV:	-8.81(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-ethylpiperazin-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCCCC1C(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C)C

DOS

IR

Vibrations