Geometry & MOs

Info

ID:	330574
PubChem CID:	127247981
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	344.23246
ΔH_f, kcal/mol:	29.6
Dipole, Da:	5.65
IP(EA), eV:	-8.58(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC(C1)C(=O)N(C)C)CC2=C(NN=C2)C3=CC=CC=C3

DOS

IR

Vibrations