Geometry & MOs

Info

ID:	253742
PubChem CID:	103120348
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-25.04
Dipole, Da:	2.66
IP(EA), eV:	-9.39(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethyl)azepan-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=C3C=NC=CN3N=C2)O

DOS

IR

Vibrations