Geometry & MOs

Info

ID:	360229
PubChem CID:	127300872
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	370.175339
ΔH_f, kcal/mol:	18.88
Dipole, Da:	6.15
IP(EA), eV:	-9.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations