Geometry & MOs

Info

ID:	435152
PubChem CID:	135182124
Reduced:	N5C12H21 (1)
Stoich.:	A5B12C21 (1)
Weight, g/mol:	221.12766
ΔH_f, kcal/mol:	36.18
Dipole, Da:	3.76
IP(EA), eV:	-8.61(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminopyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1CCN(CC1)CC2=CN=C(N=C2)N

DOS

IR

Vibrations