Geometry & MOs

Info

ID:	274215
PubChem CID:	103807777
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	317.01975
ΔH_f, kcal/mol:	-85.9
Dipole, Da:	4.63
IP(EA), eV:	-9.04(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(5-bromothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN)C(=O)[C@@H]2CCC(=O)N2

DOS

IR

Vibrations