Geometry & MOs

Info

ID:	306359
PubChem CID:	125003905
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	-54.95
Dipole, Da:	3.13
IP(EA), eV:	-9.59(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-7-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)N2CCO[C@@H](C2)C3=NC(=NC=C3)C

DOS

IR

Vibrations