Geometry & MOs

Info

ID:	361341
PubChem CID:	127302536
Reduced:	ON5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	390.152575
ΔH_f, kcal/mol:	-9.85
Dipole, Da:	5.7
IP(EA), eV:	-8.69(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CC2)N3CCN(CC3)CC(=O)N4CCCCCC4

DOS

IR

Vibrations