Geometry & MOs

Info

ID:	421869
PubChem CID:	135116752
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-66.16
Dipole, Da:	5.06
IP(EA), eV:	-9.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dimethyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CC3=CC(=O)C4=C(N3)C=CC(=C4)Cl

DOS

IR

Vibrations