Geometry & MOs

Info

ID:	137166
PubChem CID:	52164408
Reduced:	O2N5C24H34 (1)
Stoich.:	A2B5C24D34 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-33.33
Dipole, Da:	7.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.792949
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(dimethylamino)-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C[NH+]2CCN(CC2)CC3=CC=CC=C3C)N4CCCC4

DOS

IR

Vibrations