Geometry & MOs

Info

ID:	449663
PubChem CID:	135300413
Reduced:	N2O5C18H36 (1)
Stoich.:	A2B5C18D36 (1)
Weight, g/mol:	434.156575
ΔH_f, kcal/mol:	-274.32
Dipole, Da:	1.72
IP(EA), eV:	-9.18(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methoxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC[C@H](C)C([C@H](OC)OC(=O)OC(C)(C)C)N(C)C(=O)[C@H](C(C)C)N

DOS

IR

Vibrations