Geometry & MOs

Info

ID:	227130
PubChem CID:	87560307
Reduced:	O10C17H18 (1)
Stoich.:	A10B17C18 (1)
Weight, g/mol:	302.110981
ΔH_f, kcal/mol:	-387.61
Dipole, Da:	6.37
IP(EA), eV:	-9.18(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-9-cyclopentyl-7,7-difluoro-5-methyl-6,8-dihydropyrimido[4,5-b][1,4]diazepine

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC(=C(C(=C1)O)O)O.C1=C(C=C(C(=C1O)O)O)C(=O)O

DOS

IR

Vibrations