Geometry & MOs

Info

ID:	421917
PubChem CID:	135116837
Reduced:	SN6O8C38H48 (1)
Stoich.:	AB6C8D38E48 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	-289.7
Dipole, Da:	8.85
IP(EA), eV:	-9.33(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,4,6-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=C(C=CC(=C4)S(=O)(=O)N)OC

DOS

IR

Vibrations