Geometry & MOs

Info

ID:	369586
PubChem CID:	127334773
Reduced:	ClO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	367.175673
ΔH_f, kcal/mol:	6.38
Dipole, Da:	4.35
IP(EA), eV:	-8.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NO2)C(=O)N3CCCC3C4=NC=C(N4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations