Geometry & MOs

Info

ID:	305920
PubChem CID:	124974125
Reduced:	O2N4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	369.252861
ΔH_f, kcal/mol:	9.66
Dipole, Da:	2.39
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[(3R)-3-[[6-(2-propylpyrazol-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NC2=CC=CC=C12)C(=O)N3CCN(C(=O)[C@@H]3CC4=CC=C(C=C4)C5=CN=CC=C5)C

DOS

IR

Vibrations