Geometry & MOs

Info

ID:	416204
PubChem CID:	135089214
Reduced:	N2O3C14H17 (2)
Stoich.:	A2B3C14D17 (2)
Weight, g/mol:	314.221895
ΔH_f, kcal/mol:	-191.14
Dipole, Da:	3.72
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)CC5CCNCC5

DOS

IR

Vibrations