Geometry & MOs

Info

ID:	432561
PubChem CID:	135172694
Reduced:	N5C11H19 (1)
Stoich.:	A5B11C19 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	38.46
Dipole, Da:	2.82
IP(EA), eV:	-8.66(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1=CN=C(N=C1)CN2CCNCC2)N

DOS

IR

Vibrations