Geometry & MOs

Info

ID:	145684
PubChem CID:	53570937
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	-0.42
Dipole, Da:	5.37
IP(EA), eV:	-8.66(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-benzylimidazol-2-yl)methyl]-4-(2-ethoxyethyl)piperazine

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N2CCCN(CC2)CC3=CN(N=C3)C)C

DOS

IR

Vibrations