Geometry & MOs

Info

ID:	360221
PubChem CID:	127300864
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	384.190989
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	4.89
IP(EA), eV:	-9.01(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)CCNC(=O)C3CCCCC3

DOS

IR

Vibrations