Geometry & MOs

Info

ID:	138074
PubChem CID:	52307642
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	347.210996
ΔH_f, kcal/mol:	-59.36
Dipole, Da:	8.03
IP(EA), eV:	-8.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methyl-1-propylpyrazol-4-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations