Geometry & MOs

Info

ID:	126499
PubChem CID:	50966374
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	353.160023
ΔH_f, kcal/mol:	-78.55
Dipole, Da:	2.2
IP(EA), eV:	-9.01(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-acetyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=NC(=NC=C1)NC2CCC(CC2)O

DOS

IR

Vibrations