Geometry & MOs

Info

ID:	227290
PubChem CID:	87561081
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	316.126631
ΔH_f, kcal/mol:	-128.04
Dipole, Da:	3.61
IP(EA), eV:	-10.56(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)C(CC=C)C(=O)O

DOS

IR

Vibrations