Geometry & MOs

Info

ID:	199732
PubChem CID:	79288454
Reduced:	SN4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	194.116761
ΔH_f, kcal/mol:	75.11
Dipole, Da:	2.38
IP(EA), eV:	-8.63(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,7-trimethyl-2,4,6,7-tetrahydropyrazolo[3,4-b][1,4]diazepin-5-one

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1)N(C(=N2)N)C(C)C3=CC=CS3

DOS

IR

Vibrations